[4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate

C79H66O15 — CID 158374847

IUPAC[4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate
SMILESC=CC(=O)OCOc1ccc(C(=O)Oc2ccc3cc(OCOc4ccc(C=C)cc4)ccc3c2)cc1.C=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)cc2)cc1.C=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)cc2C)cc1
InChIInChI=1S/C30H24O7.C25H22O4.C24H20O4/c1-3-21-5-11-25(12-6-21)33-19-35-27-15-9-24-18-28(16-10-23(24)17-27)37-30(32)22-7-13-26(14-8-22)34-20-36-29(31)4-2;1-4-19-6-10-21(11-7-19)25(26)29-23-14-15-24(18(3)16-23)28-17-27-22-12-8-20(5-2)9-13-22;1-3-18-5-9-20(10-6-18)24(25)28-23-15-13-22(14-16-23)27-17-26-21-11-7-19(4-2)8-12-21/h3-18H,1-2,19-20H2;4-16H,1-2,17H2,3H3;3-16H,1-2,17H2
InChIKeyGVBHCTZJHBHNJB-UHFFFAOYSA-N
MW1255.38 g/mol
LogP17.71
Rot. Bonds27

About [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate

[4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate (PubChem CID 158374847) has the molecular formula C79H66O15 and a molecular weight of 1255.38 g/mol. Its IUPAC name is [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate.

Molecular Properties

Compound Name[4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate
PubChem CID158374847
Molecular FormulaC79H66O15
Molecular Weight1255.38 g/mol
Exact Mass1254.44
IUPAC Name[4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate
SMILESC=CC(=O)OCOc1ccc(C(=O)Oc2ccc3cc(OCOc4ccc(C=C)cc4)ccc3c2)cc1.C=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)cc2)cc1.C=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)cc2C)cc1
InChIInChI=1S/C30H24O7.C25H22O4.C24H20O4/c1-3-21-5-11-25(12-6-21)33-19-35-27-15-9-24-18-28(16-10-23(24)17-27)37-30(32)22-7-13-26(14-8-22)34-20-36-29(31)4-2;1-4-19-6-10-21(11-7-19)25(26)29-23-14-15-24(18(3)16-23)28-17-27-22-12-8-20(5-2)9-13-22;1-3-18-5-9-20(10-6-18)24(25)28-23-15-13-22(14-16-23)27-17-26-21-11-7-19(4-2)8-12-21/h3-18H,1-2,19-20H2;4-16H,1-2,17H2,3H3;3-16H,1-2,17H2
InChIKeyGVBHCTZJHBHNJB-UHFFFAOYSA-N
XLogP17.71
TPSA169.81 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001255.38
LogP ≤ 517.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2,4-dimethylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 126651896
[4-(prop-2-enoyloxymethoxy)phenyl] 6-(4-prop-2-enoxybenzoyl)oxynaphthalene-2-carboxylate
CID 58471406
[4-[(4-methoxyphenoxy)methoxy]-3-methylphenyl] 4-methoxybenzoate
CID 89477375
[3-methyl-4-[[4-(3-prop-2-enoyloxypropoxy)phenoxy]methoxy]phenyl] 4-(3-ethenylperoxypropoxy)benzoate
CID 59755195
[3-methoxy-4-[6-(prop-2-enoyloxymethoxy)naphthalene-2-carbonyl]oxyphenyl] 6-(prop-2-enoyloxymethoxy)naphthalene-2-carboxylate
CID 59181128
[4-(4-ethylcyclohexyl)phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-(4-ethyl-2-methylphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;(4-ethyl-2-methylphenyl) 6-[4-(prop-2-enoyloxymethoxy)benzoyl]oxynaphthalene-2-carboxylate;[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-ethylbenzoate
CID 162006073
[2,3-dimethyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[2,3-dimethyl-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[3-methyl-4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[3-methyl-4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[3-methyl-4-[(E)-3-[4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate;[4-[4-(prop-2-enoyloxymethoxy)benzoyl]oxyphenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoyloxy]phenyl] 3-[4-(prop-2-enoyloxymethoxy)phenyl]propanoate;[4-[(E)-3-[4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoyl]oxyphenyl] (E)-3-[4-(prop-2-enoyloxymethoxy)phenyl]prop-2-enoate
CID 161104418
[3-methyl-4-[[4-(prop-2-enoyloxymethoxy)phenoxy]methoxy]phenyl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[[4-(4-prop-2-enoyloxybutoxy)phenoxy]methoxy]phenyl] 4-[4-[(3-methyloxetan-3-yl)methoxy]butoxy]benzoate
CID 158486918
[4-[(4-ethenylphenoxy)methoxy]-2,3-dimethylphenyl] 4-ethenylbenzoate
CID 22088303
[2-methyl-4-[4-(2-prop-2-enoyloxyethoxymethoxy)benzoyl]oxyphenyl] 4-[2-(2-prop-2-enoyloxyethoxy)ethoxy]benzoate
CID 137454184
(4-methoxycarbonylphenyl) 4-(prop-2-enoyloxymethoxy)benzoate
CID 54225786
[4-(4-ethoxyphenoxy)carbonylphenyl] 4-(prop-2-enoyloxymethoxy)benzoate
CID 118151218

Frequently Asked Questions

What is the IUPAC name of [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate?
The IUPAC name of [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate (CID 158374847) is [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate.
What is the SMILES notation for [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate?
The canonical SMILES for [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate is C=CC(=O)OCOc1ccc(C(=O)Oc2ccc3cc(OCOc4ccc(C=C)cc4)ccc3c2)cc1.C=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)cc2)cc1.C=Cc1ccc(OCOc2ccc(OC(=O)c3ccc(C=C)cc3)cc2C)cc1.
What is the InChIKey of [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate?
The InChIKey is GVBHCTZJHBHNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O7.C25H22O4.C24H20O4/c1-3-21-5-11-25(12-6-21)33-19-35-27-15-9-24-18-28(16-10-23(24)17-27)37-30(32)22-7-13-26(14-8-22)34-20-36-29(31)4-2;1-4-19-6-10-21(11-7-19)25(26)29-23-14-15-24(18(3)16-23)28-17-27-22-12-8-20(5-2)9-13-22;1-3-18-5-9-20(10-6-18)24(25)28-23-15-13-22(14-16-23)27-17-26-21-11-7-19(4-2)8-12-21/h3-18H,1-2,19-20H2;4-16H,1-2,17H2,3H3;3-16H,1-2,17H2.
What are the key properties of [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate?
[4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate has a molecular weight of 1255.38 g/mol, XLogP of 17.71, 27 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-ethenylphenoxy)methoxy]-3-methylphenyl] 4-ethenylbenzoate;[6-[(4-ethenylphenoxy)methoxy]naphthalen-2-yl] 4-(prop-2-enoyloxymethoxy)benzoate;[4-[(4-ethenylphenoxy)methoxy]phenyl] 4-ethenylbenzoate is sourced from PubChem (CID 158374847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).