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

C23H20O3 — CID 19175339

IUPAC(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
SMILESCc1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H20O3/c1-18-6-5-9-22(16-18)26-23(24)15-12-19-10-13-21(14-11-19)25-17-20-7-3-2-4-8-20/h2-16H,17H2,1H3/b15-12+
InChIKeyYFZPUFJNHPFJON-NTCAYCPXSA-N
MW344.41 g/mol
LogP5.19
Rot. Bonds6

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

(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate (PubChem CID 19175339) has the molecular formula C23H20O3 and a molecular weight of 344.41 g/mol. Its IUPAC name is (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
PubChem CID19175339
Molecular FormulaC23H20O3
Molecular Weight344.41 g/mol
Exact Mass344.14
IUPAC Name(3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
SMILESCc1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H20O3/c1-18-6-5-9-22(16-18)26-23(24)15-12-19-10-13-21(14-11-19)25-17-20-7-3-2-4-8-20/h2-16H,17H2,1H3/b15-12+
InChIKeyYFZPUFJNHPFJON-NTCAYCPXSA-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

(4-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175340
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
3-(4-phenylmethoxyphenyl)prop-2-enoyl 3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 139936599
3-(4-phenylmethoxyphenyl)prop-2-enoyl chloride
CID 86156285
(E)-1-(2,4-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 7973152
(1E,4E)-1,5-bis(4-phenylmethoxyphenyl)penta-1,4-dien-3-one
CID 6475153
(2-phenylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate
CID 19175177
phenyl (E)-3-[4-(2-phenoxyethoxy)phenyl]prop-2-enoate
CID 89388699
(E)-3-[4-[(3,5-dimethylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 61029647
[2-amino-3-cyano-4-(4-phenylmethoxyphenyl)-4H-chromen-7-yl] (E)-3-(4-methylphenyl)prop-2-enoate
CID 19121368
N-(2,6-dimethylphenyl)-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 3591319

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The IUPAC name of (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate (CID 19175339) is (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The canonical SMILES for (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate is Cc1cccc(OC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
The InChIKey is YFZPUFJNHPFJON-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H20O3/c1-18-6-5-9-22(16-18)26-23(24)15-12-19-10-13-21(14-11-19)25-17-20-7-3-2-4-8-20/h2-16H,17H2,1H3/b15-12+.
What are the key properties of (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate?
(3-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 (3-methylphenyl) (E)-3-(4-phenylmethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19175339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).