1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C18H26BrFO — CID 65147531

IUPAC1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C18H26BrFO/c1-4-17(2,3)14-7-9-18(21,10-8-14)12-13-11-15(20)5-6-16(13)19/h5-6,11,14,21H,4,7-10,12H2,1-3H3
InChIKeyQRANAHWLHWTANS-UHFFFAOYSA-N
MW357.31 g/mol
LogP5.49
Rot. Bonds4

About 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 65147531) has the molecular formula C18H26BrFO and a molecular weight of 357.31 g/mol. Its IUPAC name is 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID65147531
Molecular FormulaC18H26BrFO
Molecular Weight357.31 g/mol
Exact Mass356.12
IUPAC Name1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2cc(F)ccc2Br)CC1
InChIInChI=1S/C18H26BrFO/c1-4-17(2,3)14-7-9-18(21,10-8-14)12-13-11-15(20)5-6-16(13)19/h5-6,11,14,21H,4,7-10,12H2,1-3H3
InChIKeyQRANAHWLHWTANS-UHFFFAOYSA-N
XLogP5.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.31
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-bromo-5-fluorophenyl)methyl]cyclopropan-1-ol
CID 117364001
1-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-ol
CID 65151763
1-[(2-bromo-4-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 63407519
1-[(5-bromothiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147375
1-[(3,4-dimethylphenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63407030
1-[(2,5-difluorophenyl)methyl]-4-propylcyclohexan-1-ol
CID 55186945
1-(4-fluoro-2-methylphenyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63407074
1-[(2-chloro-6-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63406990
1-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63407677
4-[(2-bromo-5-fluorophenyl)methyl]-1-propylazepan-4-ol
CID 65153990
1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147632
1-[(2-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 65151801

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 65147531) is 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(Cc2cc(F)ccc2Br)CC1.
What is the InChIKey of 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is QRANAHWLHWTANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrFO/c1-4-17(2,3)14-7-9-18(21,10-8-14)12-13-11-15(20)5-6-16(13)19/h5-6,11,14,21H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 357.31 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 65147531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).