1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol

C15H20BrFO2 — CID 103452352

IUPAC1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H20BrFO2/c1-10-4-6-15(19,7-5-10)14(18)9-11-8-12(16)2-3-13(11)17/h2-3,8,10,14,18-19H,4-7,9H2,1H3
InChIKeyGMEVWKPYNGODFS-UHFFFAOYSA-N
MW331.23 g/mol
LogP3.43
Rot. Bonds3

About 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol

1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol (PubChem CID 103452352) has the molecular formula C15H20BrFO2 and a molecular weight of 331.23 g/mol. Its IUPAC name is 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
PubChem CID103452352
Molecular FormulaC15H20BrFO2
Molecular Weight331.23 g/mol
Exact Mass330.06
IUPAC Name1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(C(O)Cc2cc(Br)ccc2F)CC1
InChIInChI=1S/C15H20BrFO2/c1-10-4-6-15(19,7-5-10)14(18)9-11-8-12(16)2-3-13(11)17/h2-3,8,10,14,18-19H,4-7,9H2,1H3
InChIKeyGMEVWKPYNGODFS-UHFFFAOYSA-N
XLogP3.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.23
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bromo-3-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452391
1-[[(5-bromo-2-fluorophenyl)methylamino]methyl]-4-methylcyclohexan-1-ol
CID 65115701
1-[(5-bromo-2-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 62595059
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
1-[2-(4-bromothiophen-2-yl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452373
2-(5-bromo-2-fluorophenyl)-1-(1-methoxycyclobutyl)ethanol
CID 116710491
2-(4-bromo-2-fluorophenyl)-1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 103450671
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
1-[(5-bromo-2-fluorophenyl)methyl]-2-methylcyclopentan-1-ol
CID 65154192
1-(5-bromo-2-fluorophenyl)-3-methylbutan-2-ol
CID 62608389
1-[2-(3,5-dimethylphenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol
CID 103452363
1-[(2-fluoro-5-methylphenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 103452318

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol (CID 103452352) is 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(C(O)Cc2cc(Br)ccc2F)CC1.
What is the InChIKey of 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol?
The InChIKey is GMEVWKPYNGODFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFO2/c1-10-4-6-15(19,7-5-10)14(18)9-11-8-12(16)2-3-13(11)17/h2-3,8,10,14,18-19H,4-7,9H2,1H3.
What are the key properties of 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol?
1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol has a molecular weight of 331.23 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-bromo-2-fluorophenyl)-1-hydroxyethyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 103452352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).