(2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate

C24H22O2 — CID 175495506

IUPAC(2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate
SMILESCc1ccccc1C=C(C(=O)Oc1ccccc1C)c1ccccc1C
InChIInChI=1S/C24H22O2/c1-17-10-4-7-13-20(17)16-22(21-14-8-5-11-18(21)2)24(25)26-23-15-9-6-12-19(23)3/h4-16H,1-3H3
InChIKeyKMQSYAANVIJHRH-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.76
Rot. Bonds4

About (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate

(2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate (PubChem CID 175495506) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate
PubChem CID175495506
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate
SMILESCc1ccccc1C=C(C(=O)Oc1ccccc1C)c1ccccc1C
InChIInChI=1S/C24H22O2/c1-17-10-4-7-13-20(17)16-22(21-14-8-5-11-18(21)2)24(25)26-23-15-9-6-12-19(23)3/h4-16H,1-3H3
InChIKeyKMQSYAANVIJHRH-UHFFFAOYSA-N
XLogP5.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methylphenyl) 2-aminoprop-2-enoate
CID 174884236
(2-methylphenyl) 2-methanethioylprop-2-enoate
CID 54230018
(2-methylphenyl) 2-methoxy-3-phenylprop-2-enoate
CID 171485584
1-O-ethyl 2-O-(2-methylphenyl) oxalate
CID 6422111
(2-methylphenyl) 2-benzoyloxybenzoate
CID 21306244
(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954371
2-O-(2-methylphenyl) 1-O-(4-methylphenyl) oxalate
CID 174691323
1-O-methyl 2-O-(2-methylphenyl) benzene-1,2-dicarboxylate
CID 6424489
methyl 2-(2-methylphenoxy)but-2-enoate
CID 57165556
2-(2-methylphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 3469700
trimethylsilyl (E)-2,3-bis(2-methoxyphenyl)prop-2-enoate
CID 10594452
methyl (2E)-4-chloro-2-(2-methylphenyl)penta-2,4-dienoate
CID 89174791

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate?
The IUPAC name of (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate (CID 175495506) is (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate.
What is the SMILES notation for (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate?
The canonical SMILES for (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate is Cc1ccccc1C=C(C(=O)Oc1ccccc1C)c1ccccc1C.
What is the InChIKey of (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate?
The InChIKey is KMQSYAANVIJHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-17-10-4-7-13-20(17)16-22(21-14-8-5-11-18(21)2)24(25)26-23-15-9-6-12-19(23)3/h4-16H,1-3H3.
What are the key properties of (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate?
(2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate has a molecular weight of 342.44 g/mol, XLogP of 5.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) 2,3-bis(2-methylphenyl)prop-2-enoate is sourced from PubChem (CID 175495506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).