(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

C23H20O3 — CID 7872590

IUPAC(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O3/c1-25-22-14-9-18(10-15-22)11-16-23(24)26-17-19-7-12-21(13-8-19)20-5-3-2-4-6-20/h2-16H,17H2,1H3/b16-11+
InChIKeyUNEKGTDOPPZOBG-LFIBNONCSA-N
MW344.41 g/mol
LogP5.12
Rot. Bonds6

About (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate

(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate (PubChem CID 7872590) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
PubChem CID7872590
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate
SMILESCOc1ccc(/C=C/C(=O)OCc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O3/c1-25-22-14-9-18(10-15-22)11-16-23(24)26-17-19-7-12-21(13-8-19)20-5-3-2-4-6-20/h2-16H,17H2,1H3/b16-11+
InChIKeyUNEKGTDOPPZOBG-LFIBNONCSA-N
XLogP5.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.41
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)methyl 3-(4-formylphenyl)prop-2-enoate
CID 86758303
(4-phenylphenyl)methyl (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486348
(4-methylphenyl)methyl (E)-3-(6-methoxynaphthalen-2-yl)prop-2-enoate
CID 7740353
(4-methoxyphenyl)methyl (E)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enoate
CID 98716837
2-(3,5-diaminophenyl)ethyl (E)-3-[4-(4-methoxyphenyl)phenyl]prop-2-enoate
CID 144577579
benzyl (E)-3-(4-acetylphenyl)prop-2-enoate
CID 132608073
benzyl (E)-3-(4-tert-butylphenyl)prop-2-enoate
CID 67918730
benzyl 3-(4-propan-2-ylphenyl)prop-2-enoate
CID 5044807
[2,5-dimethoxy-4-[3-(4-methoxyphenyl)prop-2-enoyloxymethyl]phenyl]methyl 3-(4-methoxyphenyl)prop-2-enoate
CID 74061768
acetonitrile;benzyl 3-phenylprop-2-enoate
CID 174428779
benzyl (2S)-2-[3-(4-methoxyphenyl)prop-2-enoyl-methylamino]propanoate
CID 54166245
[methoxy(dimethyl)silyl]methyl (E)-3-[4-(4-phenylphenyl)phenyl]prop-2-enoate
CID 21307548

Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The IUPAC name of (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate (CID 7872590) is (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate is COc1ccc(/C=C/C(=O)OCc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
The InChIKey is UNEKGTDOPPZOBG-LFIBNONCSA-N. The full InChI is InChI=1S/C23H20O3/c1-25-22-14-9-18(10-15-22)11-16-23(24)26-17-19-7-12-21(13-8-19)20-5-3-2-4-6-20/h2-16H,17H2,1H3/b16-11+.
What are the key properties of (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate?
(4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)methyl (E)-3-(4-methoxyphenyl)prop-2-enoate is sourced from PubChem (CID 7872590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).