1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol

C14H18BrFO — CID 54971162

IUPAC1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H18BrFO/c1-10-3-2-6-14(17,8-10)9-11-4-5-13(16)12(15)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyQBJKVOANGVIXLN-UHFFFAOYSA-N
MW301.20 g/mol
LogP4.07
Rot. Bonds2

About 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol

1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol (PubChem CID 54971162) has the molecular formula C14H18BrFO and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
PubChem CID54971162
Molecular FormulaC14H18BrFO
Molecular Weight301.20 g/mol
Exact Mass300.05
IUPAC Name1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(Cc2ccc(F)c(Br)c2)C1
InChIInChI=1S/C14H18BrFO/c1-10-3-2-6-14(17,8-10)9-11-4-5-13(16)12(15)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3
InChIKeyQBJKVOANGVIXLN-UHFFFAOYSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3-bromo-4-fluorophenyl)methyl]-4-ethylcycloheptan-1-ol
CID 65086137
1-[(3-bromo-4-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079897
1-[(3-bromo-4-fluorophenyl)methyl]-3-methoxycyclobutan-1-ol
CID 106823572
4-[(3-bromo-4-fluorophenyl)methyl]oxepan-4-ol
CID 65079646
1-[(3,4-difluorophenyl)methyl]-3-methylcyclobutan-1-ol
CID 103564715
1-[(3,4-difluorophenyl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449890
2-(3-bromo-4-fluorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanol
CID 116755187
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[[(3-bromo-4-methoxyphenyl)methylamino]methyl]-3-methylcyclohexan-1-ol
CID 63932489
1-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086513
1-[(3-bromo-4-fluorophenyl)-hydroxymethyl]-3-methylcyclohexane-1-carbonitrile
CID 79136810
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol (CID 54971162) is 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(Cc2ccc(F)c(Br)c2)C1.
What is the InChIKey of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is QBJKVOANGVIXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFO/c1-10-3-2-6-14(17,8-10)9-11-4-5-13(16)12(15)7-11/h4-5,7,10,17H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol?
1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 301.20 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-4-fluorophenyl)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 54971162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).