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

C23H26O3 — CID 10641611

IUPAC4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid
SMILESC/C(=C\c1ccc(C(=O)O)cc1)c1ccc(O)c(C2(C)CCCCC2)c1
InChIInChI=1S/C23H26O3/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-21(24)20(15-19)23(2)12-4-3-5-13-23/h6-11,14-15,24H,3-5,12-13H2,1-2H3,(H,25,26)/b16-14+
InChIKeyBRIDULNVONKRHN-JQIJEIRASA-N
MW350.46 g/mol
LogP5.87
Rot. Bonds4

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

4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid (PubChem CID 10641611) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid.

Molecular Properties

Compound Name4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid
PubChem CID10641611
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid
SMILESC/C(=C\c1ccc(C(=O)O)cc1)c1ccc(O)c(C2(C)CCCCC2)c1
InChIInChI=1S/C23H26O3/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-21(24)20(15-19)23(2)12-4-3-5-13-23/h6-11,14-15,24H,3-5,12-13H2,1-2H3,(H,25,26)/b16-14+
InChIKeyBRIDULNVONKRHN-JQIJEIRASA-N
XLogP5.87
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Bms-181156
CID 445576

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid?
The IUPAC name of 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid (CID 10641611) is 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid.
What is the SMILES notation for 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid?
The canonical SMILES for 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid is C/C(=C\c1ccc(C(=O)O)cc1)c1ccc(O)c(C2(C)CCCCC2)c1.
What is the InChIKey of 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid?
The InChIKey is BRIDULNVONKRHN-JQIJEIRASA-N. The full InChI is InChI=1S/C23H26O3/c1-16(14-17-6-8-18(9-7-17)22(25)26)19-10-11-21(24)20(15-19)23(2)12-4-3-5-13-23/h6-11,14-15,24H,3-5,12-13H2,1-2H3,(H,25,26)/b16-14+.
What are the key properties of 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid?
4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid has a molecular weight of 350.46 g/mol, XLogP of 5.87, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]prop-1-enyl]benzoic acid is sourced from PubChem (CID 10641611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).