1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol

C15H18F2O — CID 116660061

IUPAC1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol
SMILESOC(CC1=CCCCC1)Cc1cc(F)ccc1F
InChIInChI=1S/C15H18F2O/c16-13-6-7-15(17)12(9-13)10-14(18)8-11-4-2-1-3-5-11/h4,6-7,9,14,18H,1-3,5,8,10H2
InChIKeySYDXZUVKQXAYLM-UHFFFAOYSA-N
MW252.30 g/mol
LogP3.76
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol

1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol (PubChem CID 116660061) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol
PubChem CID116660061
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol
SMILESOC(CC1=CCCCC1)Cc1cc(F)ccc1F
InChIInChI=1S/C15H18F2O/c16-13-6-7-15(17)12(9-13)10-14(18)8-11-4-2-1-3-5-11/h4,6-7,9,14,18H,1-3,5,8,10H2
InChIKeySYDXZUVKQXAYLM-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohexen-1-yl)-1-(2,4-difluorophenyl)ethanamine
CID 116661300
1-(4-bromo-2-chlorophenyl)-3-(cyclohexen-1-yl)propan-2-ol
CID 116660281
1-(5-chloro-2-fluorophenyl)-3-(cyclohexen-1-yl)-N-methylpropan-2-amine
CID 103049107
(2S)-3-(cyclohexen-1-yl)-1-(4-fluorophenyl)-2-hydroxypropan-1-one
CID 102380825
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
1-(cyclohexen-1-yl)-3-(2,4-difluorophenyl)-N-ethylpropan-2-amine
CID 116661880
1-(2,5-difluorophenyl)-5,5,5-trifluoropentan-2-ol
CID 79954433
1-(4-chlorophenyl)-2-(cyclohexen-1-yl)ethanol
CID 116660033
1-(cyclohexen-1-yl)-3-thiophen-2-ylpropan-2-ol
CID 116660106
1-(cyclohexen-1-yl)-4-methylpentan-2-ol
CID 12869932
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
1-(cyclohexen-1-yl)hex-5-yn-2-ol
CID 116660119

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol (CID 116660061) is 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol is OC(CC1=CCCCC1)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol?
The InChIKey is SYDXZUVKQXAYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c16-13-6-7-15(17)12(9-13)10-14(18)8-11-4-2-1-3-5-11/h4,6-7,9,14,18H,1-3,5,8,10H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol?
1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol has a molecular weight of 252.30 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2,5-difluorophenyl)propan-2-ol is sourced from PubChem (CID 116660061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).