1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol

C15H20ClFO2 — CID 103452151

IUPAC1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
SMILESOC(Cc1cccc(Cl)c1F)C1(O)CCCCCC1
InChIInChI=1S/C15H20ClFO2/c16-12-7-5-6-11(14(12)17)10-13(18)15(19)8-3-1-2-4-9-15/h5-7,13,18-19H,1-4,8-10H2
InChIKeyXHMSSJPMIGVVTK-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.47
Rot. Bonds3

About 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol

1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol (PubChem CID 103452151) has the molecular formula C15H20ClFO2 and a molecular weight of 286.77 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
PubChem CID103452151
Molecular FormulaC15H20ClFO2
Molecular Weight286.77 g/mol
Exact Mass286.11
IUPAC Name1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
SMILESOC(Cc1cccc(Cl)c1F)C1(O)CCCCCC1
InChIInChI=1S/C15H20ClFO2/c16-12-7-5-6-11(14(12)17)10-13(18)15(19)8-3-1-2-4-9-15/h5-7,13,18-19H,1-4,8-10H2
InChIKeyXHMSSJPMIGVVTK-UHFFFAOYSA-N
XLogP3.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)ethanol
CID 102867504
1-[2-(2,6-dichlorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452109
2-(3-chloro-2-fluorophenyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 102867488
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325
1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 103452055
2-(3-chloro-2-fluorophenyl)-1-cyclopropylethanol
CID 82802724
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614
2-(3-chloro-2-fluorophenyl)-1-(1-hydroxycyclopentyl)ethanone
CID 103447949
2-(3-chloro-2-fluorophenyl)-1-(1-ethylcyclopentyl)-N-methylethanamine
CID 102867147
1-[(3-chloro-2-fluorophenyl)methyl]cyclopropan-1-ol
CID 117289578
8-[(3-chloro-2-fluorophenyl)methyl]spiro[4.5]decan-8-ol
CID 102857061
1-[2-(2-chloro-4-methylphenyl)-1-hydroxyethyl]cycloheptan-1-ol
CID 106867637

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol (CID 103452151) is 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol is OC(Cc1cccc(Cl)c1F)C1(O)CCCCCC1.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
The InChIKey is XHMSSJPMIGVVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO2/c16-12-7-5-6-11(14(12)17)10-13(18)15(19)8-3-1-2-4-9-15/h5-7,13,18-19H,1-4,8-10H2.
What are the key properties of 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol?
1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol has a molecular weight of 286.77 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chloro-2-fluorophenyl)-1-hydroxyethyl]cycloheptan-1-ol is sourced from PubChem (CID 103452151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).