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

C18H18O2 — CID 83954371

IUPAC(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(C)c(/C(=C/c2ccccc2C)C(=O)O)c1
InChIInChI=1S/C18H18O2/c1-12-8-9-14(3)16(10-12)17(18(19)20)11-15-7-5-4-6-13(15)2/h4-11H,1-3H3,(H,19,20)/b17-11-
InChIKeyFSKVHRCPBMOFMV-BOPFTXTBSA-N
MW266.34 g/mol
LogP4.24
Rot. Bonds3

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

(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid (PubChem CID 83954371) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid
PubChem CID83954371
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid
SMILESCc1ccc(C)c(/C(=C/c2ccccc2C)C(=O)O)c1
InChIInChI=1S/C18H18O2/c1-12-8-9-14(3)16(10-12)17(18(19)20)11-15-7-5-4-6-13(15)2/h4-11H,1-3H3,(H,19,20)/b17-11-
InChIKeyFSKVHRCPBMOFMV-BOPFTXTBSA-N
XLogP4.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.24
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

(Z)-2-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)prop-2-enoic acid
CID 83955419
(Z)-3-(2-chloro-6-fluorophenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83952932
(Z)-2-(4-chlorophenyl)-3-(2-methylphenyl)prop-2-enoic acid
CID 83954367
(Z)-2-(2,5-dimethylphenyl)-3-(3-nitrophenyl)prop-2-enoic acid
CID 112721311
(Z)-3-(2-ethoxyphenyl)-2-(2-methoxy-5-methylphenyl)prop-2-enoic acid
CID 83955918
(Z)-2-(2,5-dimethylphenyl)-3-(4-propan-2-yloxyphenyl)prop-2-enoic acid
CID 83951821
2-(2-methylphenyl)-3-(2-nitrophenyl)prop-2-enoic acid
CID 3469700
(Z)-2-chloro-3-(2-methylphenyl)prop-2-enoic acid
CID 88641659
(Z)-3-(4-butoxyphenyl)-2-(2,5-dimethylphenyl)prop-2-enoic acid
CID 83951937
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
benzoyl 2,5-dimethylbenzoate
CID 87941827
(Z)-2-(2,5-dimethylphenyl)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoic acid
CID 83954190

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid (CID 83954371) is (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid is Cc1ccc(C)c(/C(=C/c2ccccc2C)C(=O)O)c1.
What is the InChIKey of (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid?
The InChIKey is FSKVHRCPBMOFMV-BOPFTXTBSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-8-9-14(3)16(10-12)17(18(19)20)11-15-7-5-4-6-13(15)2/h4-11H,1-3H3,(H,19,20)/b17-11-.
What are the key properties of (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid?
(Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid has a molecular weight of 266.34 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2,5-dimethylphenyl)-3-(2-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 83954371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).