1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol

C15H20BrFO — CID 65147432

IUPAC1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H20BrFO/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeyJPZMSRWKMUXHDT-UHFFFAOYSA-N
MW315.23 g/mol
LogP4.46
Rot. Bonds3

About 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol

1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol (PubChem CID 65147432) has the molecular formula C15H20BrFO and a molecular weight of 315.23 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
PubChem CID65147432
Molecular FormulaC15H20BrFO
Molecular Weight315.23 g/mol
Exact Mass314.07
IUPAC Name1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)(Cc2ccc(Br)cc2F)CC1
InChIInChI=1S/C15H20BrFO/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11,18H,2,5-8,10H2,1H3
InChIKeyJPZMSRWKMUXHDT-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]-4-propylcycloheptan-1-ol
CID 65151861
1-[(2,4-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 62197513
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65151856
1-[(2,4-difluorophenyl)methyl]-3-ethylcyclopentan-1-ol
CID 64513612
1-[(4-bromo-2-fluorophenyl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151955
4-ethyl-1-[(2-fluorophenyl)methyl]cycloheptan-1-ol
CID 65085739
1-[(2,3-difluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 65147733
1-[(4-bromo-2-fluorophenyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 65149503
1-[(5-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexane-1-carboxylic acid
CID 65393710
1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
1-[[(4-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117845
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol (CID 65147432) is 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)(Cc2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
The InChIKey is JPZMSRWKMUXHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO/c1-2-11-5-7-15(18,8-6-11)10-12-3-4-13(16)9-14(12)17/h3-4,9,11,18H,2,5-8,10H2,1H3.
What are the key properties of 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol?
1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol has a molecular weight of 315.23 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 65147432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).