(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol

C15H20ClFO — CID 64713267

IUPAC(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C15H20ClFO/c1-2-10-5-3-6-11(9-10)15(18)12-7-4-8-13(16)14(12)17/h4,7-8,10-11,15,18H,2-3,5-6,9H2,1H3
InChIKeyUSPWQJGXRGUYPP-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.73
Rot. Bonds3

About (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol

(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol (PubChem CID 64713267) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
PubChem CID64713267
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol
SMILESCCC1CCCC(C(O)c2cccc(Cl)c2F)C1
InChIInChI=1S/C15H20ClFO/c1-2-10-5-3-6-11(9-10)15(18)12-7-4-8-13(16)14(12)17/h4,7-8,10-11,15,18H,2-3,5-6,9H2,1H3
InChIKeyUSPWQJGXRGUYPP-UHFFFAOYSA-N
XLogP4.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chlorophenyl)-(3-ethylcyclopentyl)methanol
CID 65411144
1-(3-chloro-2-fluorophenyl)-2-cyclobutylethanol
CID 65459936
(2-bromo-3-methylphenyl)-(3-ethylcyclohexyl)methanol
CID 107985730
(3-ethylcyclohexyl)-(2,3,4,5,6-pentafluorophenyl)methanol
CID 115808432
1-(2-chloro-3-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylmethanamine
CID 104992251
2-(2-chlorophenyl)sulfanyl-1-(3-ethylcyclohexyl)ethanol
CID 66153922
[(2-chlorophenyl)-(3-ethylcyclohexyl)methyl]hydrazine
CID 105211066
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
(3-ethylcyclohexyl)-(2,4,6-trifluorophenyl)methanol
CID 115808567
N-[(2,6-dichlorophenyl)-(3-ethylcyclohexyl)methyl]ethanamine
CID 104992303
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
(2,6-difluorophenyl)-(3-ethylcyclohexyl)methanamine
CID 65412911

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol?
The IUPAC name of (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol (CID 64713267) is (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol?
The canonical SMILES for (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol is CCC1CCCC(C(O)c2cccc(Cl)c2F)C1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol?
The InChIKey is USPWQJGXRGUYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-2-10-5-3-6-11(9-10)15(18)12-7-4-8-13(16)14(12)17/h4,7-8,10-11,15,18H,2-3,5-6,9H2,1H3.
What are the key properties of (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol?
(3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol has a molecular weight of 270.77 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-(3-ethylcyclohexyl)methanol is sourced from PubChem (CID 64713267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).