(Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid

C25H24O2 — CID 137447920

IUPAC(Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(C(=O)O)=C(\c2ccc(C)cc2)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H24O2/c1-16-5-9-20(10-6-16)23(22-14-18(3)13-19(4)15-22)24(25(26)27)21-11-7-17(2)8-12-21/h5-15H,1-4H3,(H,26,27)/b24-23-
InChIKeyIYJQMMMZRXZCPQ-VHXPQNKSSA-N
MW356.47 g/mol
LogP5.96
Rot. Bonds4

About (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid

(Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid (PubChem CID 137447920) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid
PubChem CID137447920
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Name(Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(/C(C(=O)O)=C(\c2ccc(C)cc2)c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C25H24O2/c1-16-5-9-20(10-6-16)23(22-14-18(3)13-19(4)15-22)24(25(26)27)21-11-7-17(2)8-12-21/h5-15H,1-4H3,(H,26,27)/b24-23-
InChIKeyIYJQMMMZRXZCPQ-VHXPQNKSSA-N
XLogP5.96
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2,3-bis(4-methylphenyl)but-2-enoic acid
CID 137447893
3,3-dichloro-2-(4-methylphenyl)prop-2-enoic acid;hydrochloride
CID 88719919
(Z)-1,2,3,4-tetrakis(4-methylphenyl)but-2-ene-1,4-dione
CID 12516207
(Z)-2,3-bis(4-methylphenyl)-3-naphthalen-1-ylprop-2-enoic acid
CID 137447910
ethyl (Z)-2,3-bis(4-methylphenyl)-3-phenylprop-2-enoate
CID 177397823
carbonic acid;1,4-xylene
CID 89415214
CID 158355468
CID 158355468
indigane;4-methylbenzoic acid
CID 173230327
alumane;4-methylbenzoic acid
CID 173230362
sodium 4-methylbenzoic acid
CID 164511663
N-(3,5-dimethylphenyl)-2-(4-methylphenyl)-2-oxoacetamide
CID 47121219
bis(3,5-dimethylphenyl)methanone
CID 15640171

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid (CID 137447920) is (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid is Cc1ccc(/C(C(=O)O)=C(\c2ccc(C)cc2)c2cc(C)cc(C)c2)cc1.
What is the InChIKey of (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid?
The InChIKey is IYJQMMMZRXZCPQ-VHXPQNKSSA-N. The full InChI is InChI=1S/C25H24O2/c1-16-5-9-20(10-6-16)23(22-14-18(3)13-19(4)15-22)24(25(26)27)21-11-7-17(2)8-12-21/h5-15H,1-4H3,(H,26,27)/b24-23-.
What are the key properties of (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid?
(Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid has a molecular weight of 356.47 g/mol, XLogP of 5.96, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3,5-dimethylphenyl)-2,3-bis(4-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 137447920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).