4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid

C24H28O3 — CID 10666483

IUPAC4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid
SMILESCOc1ccc(/C(C)=C/c2ccc(C(=O)O)cc2)cc1C1(C)CCCCC1
InChIInChI=1S/C24H28O3/c1-17(15-18-7-9-19(10-8-18)23(25)26)20-11-12-22(27-3)21(16-20)24(2)13-5-4-6-14-24/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,26)/b17-15+
InChIKeyQANMIASYTMOQAE-BMRADRMJSA-N
MW364.49 g/mol
LogP6.18
Rot. Bonds5

About 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid

4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid (PubChem CID 10666483) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid
PubChem CID10666483
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid
SMILESCOc1ccc(/C(C)=C/c2ccc(C(=O)O)cc2)cc1C1(C)CCCCC1
InChIInChI=1S/C24H28O3/c1-17(15-18-7-9-19(10-8-18)23(25)26)20-11-12-22(27-3)21(16-20)24(2)13-5-4-6-14-24/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,26)/b17-15+
InChIKeyQANMIASYTMOQAE-BMRADRMJSA-N
XLogP6.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid?
The IUPAC name of 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid (CID 10666483) is 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid is COc1ccc(/C(C)=C/c2ccc(C(=O)O)cc2)cc1C1(C)CCCCC1.
What is the InChIKey of 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid?
The InChIKey is QANMIASYTMOQAE-BMRADRMJSA-N. The full InChI is InChI=1S/C24H28O3/c1-17(15-18-7-9-19(10-8-18)23(25)26)20-11-12-22(27-3)21(16-20)24(2)13-5-4-6-14-24/h7-12,15-16H,4-6,13-14H2,1-3H3,(H,25,26)/b17-15+.
What are the key properties of 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid?
4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid has a molecular weight of 364.49 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-methoxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid is sourced from PubChem (CID 10666483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).