(2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol

C18H23FO — CID 143134266

IUPAC(2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol
SMILESC/C(O)=C\C=C(/C)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C18H23FO/c1-14(9-10-15(2)20)18(11-4-3-5-12-18)16-7-6-8-17(19)13-16/h6-10,13,20H,3-5,11-12H2,1-2H3/b14-9+,15-10+
InChIKeyGMSJYOPXSDPJGC-AOEKMSOUSA-N
MW274.38 g/mol
LogP5.44
Rot. Bonds3

About (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol

(2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol (PubChem CID 143134266) has the molecular formula C18H23FO and a molecular weight of 274.38 g/mol. Its IUPAC name is (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol
PubChem CID143134266
Molecular FormulaC18H23FO
Molecular Weight274.38 g/mol
Exact Mass274.17
IUPAC Name(2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol
SMILESC/C(O)=C\C=C(/C)C1(c2cccc(F)c2)CCCCC1
InChIInChI=1S/C18H23FO/c1-14(9-10-15(2)20)18(11-4-3-5-12-18)16-7-6-8-17(19)13-16/h6-10,13,20H,3-5,11-12H2,1-2H3/b14-9+,15-10+
InChIKeyGMSJYOPXSDPJGC-AOEKMSOUSA-N
XLogP5.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.38
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5E)-6-[1-(3,4-difluorophenyl)cyclohexyl]hepta-1,3,5-trien-3-ol
CID 143134262
2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516
1-[(E)-but-2-en-2-yl]-1-phenylcycloheptane;ethane;(Z)-prop-1-ene-1,2-diol
CID 143134277
1-(3-fluorophenyl)-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 110904346
[1-(3-fluorophenyl)cyclopentyl]-(4-methylpiperazin-1-yl)methanone
CID 112759609
N-(3-aminobutyl)-1-(3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119495759
3-[[1-(3-fluorophenyl)cyclopentanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249767
1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
CID 84726019
1-(3-fluorophenyl)-N-[2-(methylamino)ethyl]cyclobutane-1-carboxamide
CID 119500175
[3-[1-(3-fluorophenyl)cyclopentanecarbonyl]oxy-2-oxopropyl] 1-(3-fluorophenyl)cyclopentane-1-carboxylate
CID 3976420
4-(3-fluorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681784

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol (CID 143134266) is (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol is C/C(O)=C\C=C(/C)C1(c2cccc(F)c2)CCCCC1.
What is the InChIKey of (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol?
The InChIKey is GMSJYOPXSDPJGC-AOEKMSOUSA-N. The full InChI is InChI=1S/C18H23FO/c1-14(9-10-15(2)20)18(11-4-3-5-12-18)16-7-6-8-17(19)13-16/h6-10,13,20H,3-5,11-12H2,1-2H3/b14-9+,15-10+.
What are the key properties of (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol?
(2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol has a molecular weight of 274.38 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol is sourced from PubChem (CID 143134266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).