1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol

C17H24ClFO — CID 107429837

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C17H24ClFO/c1-12(2)9-13-5-4-8-17(20,10-13)11-14-6-3-7-15(19)16(14)18/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3
InChIKeyTUEWYGKKRAQODN-UHFFFAOYSA-N
MW298.83 g/mol
LogP4.99
Rot. Bonds4

About 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol

1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol (PubChem CID 107429837) has the molecular formula C17H24ClFO and a molecular weight of 298.83 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
PubChem CID107429837
Molecular FormulaC17H24ClFO
Molecular Weight298.83 g/mol
Exact Mass298.15
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
SMILESCC(C)CC1CCCC(O)(Cc2cccc(F)c2Cl)C1
InChIInChI=1S/C17H24ClFO/c1-12(2)9-13-5-4-8-17(20,10-13)11-14-6-3-7-15(19)16(14)18/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3
InChIKeyTUEWYGKKRAQODN-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.83
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chloro-3-fluorophenyl)methyl]-3-cyclopropylcyclohexan-1-ol
CID 112653080
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 112653078
1-[(4-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429768
1-[(2,3-dichlorophenyl)methyl]-3-ethylcyclohexan-1-ol
CID 107307502
3-amino-1-[(2-chloro-3-fluorophenyl)methyl]cyclobutan-1-ol
CID 112653138
7-[(2-chloro-3-fluorophenyl)methyl]-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 112653152
1-[(3,5-dimethylphenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429751
1-[(2-chloro-3-fluorophenyl)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 115983401
3-amino-1-[(2-fluorophenyl)methyl]cyclohexan-1-ol
CID 67983841
1-[(2-chloro-3-fluorophenyl)methyl]-2-methylcyclohexan-1-ol
CID 112652934
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429583
1-(aminomethyl)-3-(2-methylpropyl)cyclohexan-1-ol
CID 107429492

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol (CID 107429837) is 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol is CC(C)CC1CCCC(O)(Cc2cccc(F)c2Cl)C1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
The InChIKey is TUEWYGKKRAQODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClFO/c1-12(2)9-13-5-4-8-17(20,10-13)11-14-6-3-7-15(19)16(14)18/h3,6-7,12-13,20H,4-5,8-11H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol?
1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol has a molecular weight of 298.83 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-3-(2-methylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 107429837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).