(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

C23H20O3 — CID 19175340

IUPAC(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
SMILESCc1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O3/c1-18-7-12-22(13-8-18)26-23(24)16-11-19-9-14-21(15-10-19)25-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3/b16-11+
InChIKeyTVARFHXQVRGXNF-LFIBNONCSA-N
MW344.41 g/mol
LogP5.19
Rot. Bonds6

About (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate

(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 19175340) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID19175340
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
SMILESCc1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
InChIInChI=1S/C23H20O3/c1-18-7-12-22(13-8-18)26-23(24)16-11-19-9-14-21(15-10-19)25-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3/b16-11+
InChIKeyTVARFHXQVRGXNF-LFIBNONCSA-N
XLogP5.19
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 ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175339
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
4-methyl-N'-[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]benzohydrazide
CID 22831284
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175177
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 7973152
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate (CID 19175340) is (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate is Cc1ccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is TVARFHXQVRGXNF-LFIBNONCSA-N. The full InChI is InChI=1S/C23H20O3/c1-18-7-12-22(13-8-18)26-23(24)16-11-19-9-14-21(15-10-19)25-17-20-5-3-2-4-6-20/h2-16H,17H2,1H3/b16-11+.
What are the key properties of (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate has a molecular weight of 344.41 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19175340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).