acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol

C29H26O4 — CID 71403634

IUPACacetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
SMILESCC(=O)O.COc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H22O2.C2H4O2/c1-29-25-18-14-23(15-19-25)27(22-12-16-24(28)17-13-22)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-2(3)4/h2-19,28H,1H3;1H3,(H,3,4)
InChIKeyYCRQUZBEVOTWPA-UHFFFAOYSA-N
MW438.52 g/mol
LogP6.50
Rot. Bonds5

About acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol

acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol (PubChem CID 71403634) has the molecular formula C29H26O4 and a molecular weight of 438.52 g/mol. Its IUPAC name is acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol.

Molecular Properties

Compound Nameacetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
PubChem CID71403634
Molecular FormulaC29H26O4
Molecular Weight438.52 g/mol
Exact Mass438.18
IUPAC Nameacetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol
SMILESCC(=O)O.COc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H22O2.C2H4O2/c1-29-25-18-14-23(15-19-25)27(22-12-16-24(28)17-13-22)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-2(3)4/h2-19,28H,1H3;1H3,(H,3,4)
InChIKeyYCRQUZBEVOTWPA-UHFFFAOYSA-N
XLogP6.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.52
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[2,2-bis(4-methoxyphenyl)-1-phenylethenyl]phenyl]-phenylmethanone
CID 134955229
4-[(E)-2-(4-hydroxyphenyl)-1,2-diphenylethenyl]phenol;methane;[4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]phenyl]methanol
CID 158056261
methyl (E)-3-(4-methoxyphenyl)-2-methyl-3-phenylprop-2-enoate
CID 101149814
1-bromo-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene
CID 132514241
4-[(E)-2-(4-formylphenyl)-2-(4-methoxyphenyl)-1-phenylethenyl]benzaldehyde
CID 102406735
4-[(E)-3-(4-methoxyphenyl)but-2-en-2-yl]phenol
CID 71251039
benzene-1,2-diol;4-methoxyphenol
CID 70292826
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
1-methoxy-4-[(E)-2-(4-methoxyphenyl)-1,2-diphenylethenyl]benzene;(4-methoxyphenyl)-phenylmethanone;oxolane
CID 161173543
(4-methoxyphenyl) 4-hydroxybenzoate
CID 578384
1-methoxy-4-[phenyl(sulfonyl)methyl]benzene
CID 134894682
(4-hydroxyphenyl)-[4-[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]benzoyl]phenyl]methanone
CID 140957067

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol?
The IUPAC name of acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol (CID 71403634) is acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol.
What is the SMILES notation for acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol?
The canonical SMILES for acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol is CC(=O)O.COc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(O)cc2)cc1.
What is the InChIKey of acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol?
The InChIKey is YCRQUZBEVOTWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O2.C2H4O2/c1-29-25-18-14-23(15-19-25)27(22-12-16-24(28)17-13-22)26(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-2(3)4/h2-19,28H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol?
acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol has a molecular weight of 438.52 g/mol, XLogP of 6.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[1-(4-methoxyphenyl)-2,2-diphenylethenyl]phenol is sourced from PubChem (CID 71403634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).