(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol

C15H20ClFO — CID 63861648

IUPAC(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol
SMILESCCC1CCCCC1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFO/c1-2-10-5-3-4-6-12(10)15(18)13-8-7-11(17)9-14(13)16/h7-10,12,15,18H,2-6H2,1H3
InChIKeyDITPBSRTTQNNQV-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.73
Rot. Bonds3

About (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol

(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol (PubChem CID 63861648) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol
PubChem CID63861648
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name(2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol
SMILESCCC1CCCCC1C(O)c1ccc(F)cc1Cl
InChIInChI=1S/C15H20ClFO/c1-2-10-5-3-4-6-12(10)15(18)13-8-7-11(17)9-14(13)16/h7-10,12,15,18H,2-6H2,1H3
InChIKeyDITPBSRTTQNNQV-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-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63861305
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404
(2-ethylcyclohexyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 63894152
(2-aminophenyl)-(2-ethylcyclohexyl)methanol
CID 64831996
(2-chloro-4-fluorophenyl)-(oxan-3-yl)methanol
CID 107136089
(R)-(2-ethylcyclopentyl)-(2-methylphenyl)methanol
CID 59207149
1-(2,4-difluorophenyl)-2-[(2-ethylcyclohexyl)amino]ethanol
CID 61467080
(2-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanol
CID 115801687
(3,4-dimethylphenyl)-(2-ethylcyclohexyl)methanol
CID 63895871
(1R,2S)-2-amino-2-(2-chloro-4-fluorophenyl)-1-cyclopropylethanol
CID 171161359
(1S,2R)-1-amino-1-(2-chloro-4-fluorophenyl)butan-2-ol
CID 131038068
(3-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanamine
CID 63863285

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol?
The IUPAC name of (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol (CID 63861648) is (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol is CCC1CCCCC1C(O)c1ccc(F)cc1Cl.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol?
The InChIKey is DITPBSRTTQNNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-2-10-5-3-4-6-12(10)15(18)13-8-7-11(17)9-14(13)16/h7-10,12,15,18H,2-6H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol?
(2-chloro-4-fluorophenyl)-(2-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 (2-chloro-4-fluorophenyl)-(2-ethylcyclohexyl)methanol is sourced from PubChem (CID 63861648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).