[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate

C29H24O4 — CID 19853406

IUPAC[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
SMILESC=CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H24O4/c1-3-20-32-27-16-10-23(11-17-27)21-4-6-25(7-5-21)29(30)33-28-18-12-24(13-19-28)22-8-14-26(31-2)15-9-22/h3-19H,1,20H2,2H3
InChIKeySRFANKQHXYYQFL-UHFFFAOYSA-N
MW436.51 g/mol
LogP6.81
Rot. Bonds8

About [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate

[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate (PubChem CID 19853406) has the molecular formula C29H24O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
PubChem CID19853406
Molecular FormulaC29H24O4
Molecular Weight436.51 g/mol
Exact Mass436.17
IUPAC Name[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
SMILESC=CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1
InChIInChI=1S/C29H24O4/c1-3-20-32-27-16-10-23(11-17-27)21-4-6-25(7-5-21)29(30)33-28-18-12-24(13-19-28)22-8-14-26(31-2)15-9-22/h3-19H,1,20H2,2H3
InChIKeySRFANKQHXYYQFL-UHFFFAOYSA-N
XLogP6.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.51
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
carbon dioxide;(4-methylphenyl) 4-prop-2-enoxybenzoate
CID 123884420
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoyloxybutoxy)benzoate
CID 59668546
2-methylbutyl 4-[4-[4-(4-prop-2-enoxyphenyl)benzoyl]oxyphenyl]benzoate
CID 19853401
(4-hydroxyphenyl) 4-(4-methoxyphenyl)benzoate
CID 154936541
[4-(4-acetyloxyphenyl)phenyl] 4-methoxybenzoate
CID 166041764
(4-methoxyphenyl) 4-ethoxybenzoate
CID 23011327
4-oxo-4-[4-(4-prop-2-enoxybenzoyl)oxyphenoxy]butanoic acid
CID 19348973
(4-prop-2-enoxyphenyl) 6,7-difluoronaphthalene-2-carboxylate
CID 139854089

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate?
The IUPAC name of [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate (CID 19853406) is [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate.
What is the SMILES notation for [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate?
The canonical SMILES for [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate is C=CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate?
The InChIKey is SRFANKQHXYYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24O4/c1-3-20-32-27-16-10-23(11-17-27)21-4-6-25(7-5-21)29(30)33-28-18-12-24(13-19-28)22-8-14-26(31-2)15-9-22/h3-19H,1,20H2,2H3.
What are the key properties of [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate?
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate has a molecular weight of 436.51 g/mol, XLogP of 6.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate is sourced from PubChem (CID 19853406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).