4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid

C23H26O4 — CID 173424207

IUPAC4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid
SMILESCC(Cc1ccc(OC(=O)C2CCC(C(=O)O)CC2)cc1)=C1C=CC=CC1
InChIInChI=1S/C23H26O4/c1-16(18-5-3-2-4-6-18)15-17-7-13-21(14-8-17)27-23(26)20-11-9-19(10-12-20)22(24)25/h2-5,7-8,13-14,19-20H,6,9-12,15H2,1H3,(H,24,25)
InChIKeyGOSBXYQUGJJBLM-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.86
Rot. Bonds5

About 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid

4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid (PubChem CID 173424207) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid
PubChem CID173424207
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid
SMILESCC(Cc1ccc(OC(=O)C2CCC(C(=O)O)CC2)cc1)=C1C=CC=CC1
InChIInChI=1S/C23H26O4/c1-16(18-5-3-2-4-6-18)15-17-7-13-21(14-8-17)27-23(26)20-11-9-19(10-12-20)22(24)25/h2-5,7-8,13-14,19-20H,6,9-12,15H2,1H3,(H,24,25)
InChIKeyGOSBXYQUGJJBLM-UHFFFAOYSA-N
XLogP4.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2-methoxyethyl)phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 155329104
4-[4-[2-[4-(2-acetyloxyethoxy)-4-oxobutanoyl]oxyethyl]phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 135188766
4-(4-prop-2-enoyloxyphenoxy)carbonylcyclohexane-1-carboxylic acid
CID 129265995
bis[4-(acetyloxymethyl)phenyl] cyclohexane-1,4-dicarboxylate;molecular hydrogen
CID 159835979
4-O-[4-[4-[4-(4-methoxycarbonylcyclohexanecarbonyl)oxyphenoxy]carbonylcyclohexanecarbonyl]oxyphenyl] 1-O-methyl cyclohexane-1,4-dicarboxylate
CID 168764542
[4-(2-aminopropyl)phenyl] cyclopropanecarboxylate
CID 170864830
4-O-(4-methoxycarbonyloxyphenyl) 1-O-phenyl cyclohexane-1,4-dicarboxylate
CID 144731542
ethane;[4-(4-methylcyclohexanecarbonyl)oxyphenyl] 4-methylcyclohexane-1-carboxylate
CID 90858255
4-[[2-(4-ethoxyphenyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229909
4-[4-[2-[2-(2-methylprop-2-enoyloxy)ethylcarbamoyloxy]ethyl]phenoxy]carbonylcyclohexane-1-carboxylic acid
CID 121291005
(4-ethylphenyl) 4-formylcyclohexane-1-carboxylate
CID 163436985
4-(3,4,5-trimethylphenoxy)carbonylcyclohexane-1-carboxylic acid
CID 131982134

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid (CID 173424207) is 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid is CC(Cc1ccc(OC(=O)C2CCC(C(=O)O)CC2)cc1)=C1C=CC=CC1.
What is the InChIKey of 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid?
The InChIKey is GOSBXYQUGJJBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O4/c1-16(18-5-3-2-4-6-18)15-17-7-13-21(14-8-17)27-23(26)20-11-9-19(10-12-20)22(24)25/h2-5,7-8,13-14,19-20H,6,9-12,15H2,1H3,(H,24,25).
What are the key properties of 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid?
4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid has a molecular weight of 366.46 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-cyclohexa-2,4-dien-1-ylidenepropyl)phenoxy]carbonylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 173424207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).