(4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate

C132H120FNO37 — CID 157106035

IUPAC(4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)c(OC)c1.COC(=O)c1ccc(OC(=O)c2ccc(OC)cc2O)cc1.COc1cc(OC)c(C(=O)Oc2ccc(-c3ccccc3)cc2C)cc1OC.COc1cc(OC)c(C(=O)Oc2ccc(-c3ccccc3)cc2F)cc1OC.COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(O)c1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)c(O)c1.COc1ccc(OC(=O)c2cc(OC)c(OC)cc2OC)cc1OC
InChIInChI=1S/C23H22O5.C22H19FO5.C20H16O4.C18H20O7.C18H18O6.C16H14O6.C15H11NO4/c1-15-12-17(16-8-6-5-7-9-16)10-11-19(15)28-23(24)18-13-21(26-3)22(27-4)14-20(18)25-2;1-25-19-13-21(27-3)20(26-2)12-16(19)22(24)28-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14;1-23-17-11-12-18(19(21)13-17)20(22)24-16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-20-13-7-6-11(8-15(13)22-3)25-18(19)12-9-16(23-4)17(24-5)10-14(12)21-2;1-4-23-14-9-10-15(16(11-14)21-2)18(20)24-13-7-5-12(6-8-13)17(19)22-3;1-20-12-7-8-13(14(17)9-12)16(19)22-11-5-3-10(4-6-11)15(18)21-2;1-19-12-6-7-13(14(17)8-12)15(18)20-11-4-2-10(9-16)3-5-11/h5-14H,1-4H3;4-13H,1-3H3;2-13,21H,1H3;6-10H,1-5H3;5-11H,4H2,1-3H3;3-9,17H,1-2H3;2-8,17H,1H3
InChIKeyAGHUCMBIWCGRFR-UHFFFAOYSA-N
MW2331.38 g/mol
LogP24.88
Rot. Bonds36

About (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate

(4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate (PubChem CID 157106035) has the molecular formula C132H120FNO37 and a molecular weight of 2331.38 g/mol. Its IUPAC name is (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name(4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate
PubChem CID157106035
Molecular FormulaC132H120FNO37
Molecular Weight2331.38 g/mol
Exact Mass2329.75
IUPAC Name(4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate
SMILESCCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)c(OC)c1.COC(=O)c1ccc(OC(=O)c2ccc(OC)cc2O)cc1.COc1cc(OC)c(C(=O)Oc2ccc(-c3ccccc3)cc2C)cc1OC.COc1cc(OC)c(C(=O)Oc2ccc(-c3ccccc3)cc2F)cc1OC.COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(O)c1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)c(O)c1.COc1ccc(OC(=O)c2cc(OC)c(OC)cc2OC)cc1OC
InChIInChI=1S/C23H22O5.C22H19FO5.C20H16O4.C18H20O7.C18H18O6.C16H14O6.C15H11NO4/c1-15-12-17(16-8-6-5-7-9-16)10-11-19(15)28-23(24)18-13-21(26-3)22(27-4)14-20(18)25-2;1-25-19-13-21(27-3)20(26-2)12-16(19)22(24)28-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14;1-23-17-11-12-18(19(21)13-17)20(22)24-16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-20-13-7-6-11(8-15(13)22-3)25-18(19)12-9-16(23-4)17(24-5)10-14(12)21-2;1-4-23-14-9-10-15(16(11-14)21-2)18(20)24-13-7-5-12(6-8-13)17(19)22-3;1-20-12-7-8-13(14(17)9-12)16(19)22-11-5-3-10(4-6-11)15(18)21-2;1-19-12-6-7-13(14(17)8-12)15(18)20-11-4-2-10(9-16)3-5-11/h5-14H,1-4H3;4-13H,1-3H3;2-13,21H,1H3;6-10H,1-5H3;5-11H,4H2,1-3H3;3-9,17H,1-2H3;2-8,17H,1H3
InChIKeyAGHUCMBIWCGRFR-UHFFFAOYSA-N
XLogP24.88
TPSA468.86 Ų
H-Bond Donors3
H-Bond Acceptors38
Rotatable Bonds36
Heavy Atoms171
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002331.38
LogP ≤ 524.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate with MolForge

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Related Compounds

(4-chlorophenyl) 4-(hydroxymethyl)-2,5-dimethoxybenzoate;(4-cyanophenyl) 3,4-dimethoxybenzoate;(4-cyanophenyl) 3,5-dimethoxybenzoate;(4-methoxycarbonylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxyphenyl) 2,4,5-trimethoxybenzoate;(4-phenoxyphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2,4,5-trimethoxybenzoate;phenyl 2,4,5-trimethoxybenzoate
CID 158784838
(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate
CID 59169198
[4-[4-[4-[4-[4-(2,5-dimethoxy-4-phenylmethoxybenzoyl)oxyphenyl]benzoyl]oxyphenoxy]carbonylphenyl]phenyl] 2,5-dimethoxy-4-phenylmethoxybenzoate
CID 59769008
[4-[3-methyl-4-[4-[2,4,5-tris(hydroxymethyl)benzoyl]oxybenzoyl]oxyphenyl]phenyl] 6-(2,4,5-trimethoxybenzoyl)oxypyridine-3-carboxylate
CID 58282474
methane;[4-[4-[4-[4-(2,4,5-trimethoxybenzoyl)oxybenzoyl]oxyphenyl]phenoxy]carbonylphenyl] 2,4,5-trimethoxybenzoate
CID 159446453
(4-butoxyphenyl) 4-propoxybenzoate;(4-cyanophenyl) 2,4-dimethoxy-5-methylbenzoate;(4-cyanophenyl) 2,5-dimethoxy-4-propoxybenzoate;(4-cyanophenyl) 4-ethoxy-2,5-dimethoxybenzoate;(3-cyanophenyl) 2,4,5-trimethoxybenzoate;(4-ethynylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxyphenyl) 4-hexoxybenzoate;(4-propanoyloxyphenyl) 2,4-dimethoxybenzoate;(4-propanoyloxyphenyl) 2,4,5-trimethoxybenzoate;(4-propan-2-yloxyphenyl) 4-propoxybenzoate
CID 160897252
(4-butoxyphenyl) 4-propoxybenzoate;(4-cyanophenyl) 2,4-dimethoxy-5-methylbenzoate;(4-cyanophenyl) 2,5-dimethoxy-4-propoxybenzoate;(4-cyanophenyl) 4-ethoxy-2,5-dimethoxybenzoate;(3-cyanophenyl) 2,4,5-trimethoxybenzoate;(4-ethynylphenyl) 2,4,5-trimethoxybenzoate;(4-hexoxyphenyl) 4-methoxybenzoate;(4-methoxyphenyl) 4-hexoxybenzoate;(4-propanoyloxyphenyl) 2,4-dimethoxybenzoate;(4-propan-2-yloxyphenyl) 4-propoxybenzoate
CID 158197082
[4-(4-cyanophenyl)phenyl] 2-[3,5-bis[6-[4-(4-fluorophenyl)phenoxy]hexoxy]benzoyl]oxy-4-octoxybenzoate
CID 102084192
[4-(4-cyanophenyl)phenyl] 4-ethoxy-5-methoxy-2-nitrobenzoate
CID 18224920
(4-cyanophenyl) 4-(hydroxymethyl)-2-methoxybenzoate
CID 58282505
[4-(4-cyanophenyl)phenyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 4012182
[3-[4-(4-cyanophenoxy)carbonylphenoxy]carbonylphenyl] 4-[4-(4-decylphenyl)benzoyl]oxy-2-fluorobenzoate
CID 101334399

Frequently Asked Questions

What is the IUPAC name of (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate?
The IUPAC name of (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate (CID 157106035) is (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate is CCOc1ccc(C(=O)Oc2ccc(C(=O)OC)cc2)c(OC)c1.COC(=O)c1ccc(OC(=O)c2ccc(OC)cc2O)cc1.COc1cc(OC)c(C(=O)Oc2ccc(-c3ccccc3)cc2C)cc1OC.COc1cc(OC)c(C(=O)Oc2ccc(-c3ccccc3)cc2F)cc1OC.COc1ccc(C(=O)Oc2ccc(-c3ccccc3)cc2)c(O)c1.COc1ccc(C(=O)Oc2ccc(C#N)cc2)c(O)c1.COc1ccc(OC(=O)c2cc(OC)c(OC)cc2OC)cc1OC.
What is the InChIKey of (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate?
The InChIKey is AGHUCMBIWCGRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O5.C22H19FO5.C20H16O4.C18H20O7.C18H18O6.C16H14O6.C15H11NO4/c1-15-12-17(16-8-6-5-7-9-16)10-11-19(15)28-23(24)18-13-21(26-3)22(27-4)14-20(18)25-2;1-25-19-13-21(27-3)20(26-2)12-16(19)22(24)28-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14;1-23-17-11-12-18(19(21)13-17)20(22)24-16-9-7-15(8-10-16)14-5-3-2-4-6-14;1-20-13-7-6-11(8-15(13)22-3)25-18(19)12-9-16(23-4)17(24-5)10-14(12)21-2;1-4-23-14-9-10-15(16(11-14)21-2)18(20)24-13-7-5-12(6-8-13)17(19)22-3;1-20-12-7-8-13(14(17)9-12)16(19)22-11-5-3-10(4-6-11)15(18)21-2;1-19-12-6-7-13(14(17)8-12)15(18)20-11-4-2-10(9-16)3-5-11/h5-14H,1-4H3;4-13H,1-3H3;2-13,21H,1H3;6-10H,1-5H3;5-11H,4H2,1-3H3;3-9,17H,1-2H3;2-8,17H,1H3.
What are the key properties of (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate?
(4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate has a molecular weight of 2331.38 g/mol, XLogP of 24.88, 36 rotatable bonds, 3 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyanophenyl) 2-hydroxy-4-methoxybenzoate;(3,4-dimethoxyphenyl) 2,4,5-trimethoxybenzoate;(2-fluoro-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-methoxycarbonylphenyl) 4-ethoxy-2-methoxybenzoate;(4-methoxycarbonylphenyl) 2-hydroxy-4-methoxybenzoate;(2-methyl-4-phenylphenyl) 2,4,5-trimethoxybenzoate;(4-phenylphenyl) 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 157106035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).