2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol

C16H21FO2 — CID 143381541

IUPAC2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol
SMILESCC(F)(/C=C/C1CCCC1O)COc1ccccc1
InChIInChI=1S/C16H21FO2/c1-16(17,11-10-13-6-5-9-15(13)18)12-19-14-7-3-2-4-8-14/h2-4,7-8,10-11,13,15,18H,5-6,9,12H2,1H3/b11-10+
InChIKeyXQBRXHPVQHDKNZ-ZHACJKMWSA-N
MW264.34 g/mol
LogP3.51
Rot. Bonds5

About 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol

2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol (PubChem CID 143381541) has the molecular formula C16H21FO2 and a molecular weight of 264.34 g/mol. Its IUPAC name is 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol
PubChem CID143381541
Molecular FormulaC16H21FO2
Molecular Weight264.34 g/mol
Exact Mass264.15
IUPAC Name2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol
SMILESCC(F)(/C=C/C1CCCC1O)COc1ccccc1
InChIInChI=1S/C16H21FO2/c1-16(17,11-10-13-6-5-9-15(13)18)12-19-14-7-3-2-4-8-14/h2-4,7-8,10-11,13,15,18H,5-6,9,12H2,1H3/b11-10+
InChIKeyXQBRXHPVQHDKNZ-ZHACJKMWSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoropropoxybenzene
CID 10997493
[(E)-2-fluoro-4-(2-methylcyclopentyl)but-3-enoxy]benzene
CID 143381510
2,3-dimethyl-1-phenoxybutan-2-ol
CID 114447731
phenol;2,2,2-trifluoroethoxybenzene
CID 174967121
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
(4R,5R,6aS)-4-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-2-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-ol
CID 134183878
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
2-[2-(4-tert-butylphenoxy)ethyl]cyclopentan-1-ol
CID 79564198
(3aR,4R,5R,6aS)-4-[(E)-3,3-difluoro-4-phenoxybut-1-enyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one;(3aR,4R,5R,6aS)-5-hydroxy-4-[(E)-3-oxo-4-phenoxybut-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 160582819
2,2,4,4-tetramethylpentoxybenzene
CID 70425921
(3-methoxy-2,2-dimethylpropoxy)benzene
CID 141306670
methylcyclohexane;prop-2-enoxybenzene
CID 144583061

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol?
The IUPAC name of 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol (CID 143381541) is 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol?
The canonical SMILES for 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol is CC(F)(/C=C/C1CCCC1O)COc1ccccc1.
What is the InChIKey of 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol?
The InChIKey is XQBRXHPVQHDKNZ-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H21FO2/c1-16(17,11-10-13-6-5-9-15(13)18)12-19-14-7-3-2-4-8-14/h2-4,7-8,10-11,13,15,18H,5-6,9,12H2,1H3/b11-10+.
What are the key properties of 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol?
2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol has a molecular weight of 264.34 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-fluoro-3-methyl-4-phenoxybut-1-enyl]cyclopentan-1-ol is sourced from PubChem (CID 143381541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).