bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone

C91H86O23 — CID 162005390

IUPACbis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone
SMILESCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1.COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1.COc1ccc(C(=O)c2ccccc2)c(O)c1O.O=C(c1ccccc1)c1cc(O)c(O)c(O)c1O.O=C(c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C21H26O3.C15H14O5.C15H14O3.C14H12O4.C13H10O5.C13H10O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17;1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17;1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16;1-18-11-8-7-10(13(16)14(11)17)12(15)9-5-3-2-4-6-9;14-9-6-8(11(16)13(18)12(9)17)10(15)7-4-2-1-3-5-7;14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h7-9,11-14,16,22H,2-6,10,15H2,1H3;3-8,16-17H,1-2H3;3-9,16H,1-2H3;2-8,16-17H,1H3;1-6,14,16-18H;1-8,14-15H
InChIKeyYSTNCZLJZPUTBV-UHFFFAOYSA-N
MW1547.67 g/mol
LogP17.05
Rot. Bonds24

About bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone

bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone (PubChem CID 162005390) has the molecular formula C91H86O23 and a molecular weight of 1547.67 g/mol. Its IUPAC name is bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone.

Molecular Properties

Compound Namebis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone
PubChem CID162005390
Molecular FormulaC91H86O23
Molecular Weight1547.67 g/mol
Exact Mass1546.56
IUPAC Namebis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone
SMILESCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1.COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1.COc1ccc(C(=O)c2ccccc2)c(O)c1O.O=C(c1ccccc1)c1cc(O)c(O)c(O)c1O.O=C(c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C21H26O3.C15H14O5.C15H14O3.C14H12O4.C13H10O5.C13H10O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17;1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17;1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16;1-18-11-8-7-10(13(16)14(11)17)12(15)9-5-3-2-4-6-9;14-9-6-8(11(16)13(18)12(9)17)10(15)7-4-2-1-3-5-7;14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h7-9,11-14,16,22H,2-6,10,15H2,1H3;3-8,16-17H,1-2H3;3-9,16H,1-2H3;2-8,16-17H,1H3;1-6,14,16-18H;1-8,14-15H
InChIKeyYSTNCZLJZPUTBV-UHFFFAOYSA-N
XLogP17.05
TPSA391.33 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001547.67
LogP ≤ 517.05
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone with MolForge

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Related Compounds

bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone
CID 159984364
bis(2,4-dihydroxyphenyl)methanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone
CID 162233219
(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 22644201
(4-heptadecoxy-2-hydroxyphenyl)-phenylmethanone
CID 21448860
(4-butoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 67726812
(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone
CID 159803973
dichloromethane;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 174965909
[4-[4-(4-benzoyl-3-hydroxyphenoxy)butoxy]-2-hydroxyphenyl]-phenylmethanone;(4-dodecoxy-2-hydroxyphenyl)-phenylmethanone;(2-hydroxy-4-phenylmethoxyphenyl)-phenylmethanone
CID 162002318
(2,3-dihydroxy-4-octoxyphenyl)-phenylmethanone
CID 21391594
(4-hexoxy-2-hydroxyphenyl)-(2-hydroxyphenyl)methanone
CID 19832534
3-(4-benzoyl-3-hydroxyphenoxy)propyl-dodecyl-dimethylazanium
CID 59746989
[4-[3-[(3-benzoyl-2-hydroxy-6-octoxyphenyl)methyl]octoxy]-2-hydroxyphenyl]-phenylmethanone
CID 70603392

Frequently Asked Questions

What is the IUPAC name of bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone?
The IUPAC name of bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone (CID 162005390) is bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone.
What is the SMILES notation for bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone?
The canonical SMILES for bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone is CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1.COc1ccc(C(=O)c2ccc(C)cc2)c(O)c1.COc1ccc(C(=O)c2ccc(OC)cc2O)c(O)c1.COc1ccc(C(=O)c2ccccc2)c(O)c1O.O=C(c1ccccc1)c1cc(O)c(O)c(O)c1O.O=C(c1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone?
The InChIKey is YSTNCZLJZPUTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O3.C15H14O5.C15H14O3.C14H12O4.C13H10O5.C13H10O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17;1-19-9-3-5-11(13(16)7-9)15(18)12-6-4-10(20-2)8-14(12)17;1-10-3-5-11(6-4-10)15(17)13-8-7-12(18-2)9-14(13)16;1-18-11-8-7-10(13(16)14(11)17)12(15)9-5-3-2-4-6-9;14-9-6-8(11(16)13(18)12(9)17)10(15)7-4-2-1-3-5-7;14-10-6-7-11(12(15)8-10)13(16)9-4-2-1-3-5-9/h7-9,11-14,16,22H,2-6,10,15H2,1H3;3-8,16-17H,1-2H3;3-9,16H,1-2H3;2-8,16-17H,1H3;1-6,14,16-18H;1-8,14-15H.
What are the key properties of bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone?
bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone has a molecular weight of 1547.67 g/mol, XLogP of 17.05, 24 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-hydroxy-4-methoxyphenyl)methanone;(2,3-dihydroxy-4-methoxyphenyl)-phenylmethanone;(2,4-dihydroxyphenyl)-phenylmethanone;(2-hydroxy-4-methoxyphenyl)-(4-methylphenyl)methanone;(2-hydroxy-4-octoxyphenyl)-phenylmethanone;phenyl-(2,3,4,5-tetrahydroxyphenyl)methanone is sourced from PubChem (CID 162005390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).