1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol

C14H19BrO — CID 60798328

IUPAC1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrO/c1-11-6-8-14(16,9-7-11)10-12-2-4-13(15)5-3-12/h2-5,11,16H,6-10H2,1H3
InChIKeyLXHAOBMCVPOAHQ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.93
Rot. Bonds2

About 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol

1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol (PubChem CID 60798328) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
PubChem CID60798328
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccc(Br)cc2)CC1
InChIInChI=1S/C14H19BrO/c1-11-6-8-14(16,9-7-11)10-12-2-4-13(15)5-3-12/h2-5,11,16H,6-10H2,1H3
InChIKeyLXHAOBMCVPOAHQ-UHFFFAOYSA-N
XLogP3.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(5-bromo-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 104801440
4-[(4-bromophenyl)methyl]-1-methylpiperidin-4-ol
CID 60893357
1-[(4-bromothiophen-2-yl)methyl]-4-methylcyclohexan-1-ol
CID 65147574
1-[(3-bromo-5-fluorophenyl)methyl]-4-methylcycloheptan-1-ol
CID 79701481
1-[(4-bromophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 112682706
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylcycloheptan-1-ol
CID 65084707
3-[(4-bromophenyl)methyl]-2-methyloxolan-3-ol
CID 82718020
1-[(5-ethyl-2-pyridinyl)methyl]-4-methylcyclohexan-1-ol
CID 79740612
4-methyl-1-[(3-methylphenyl)methyl]cycloheptan-1-ol
CID 65084703
1-[(4-bromophenyl)methyl]-3-methylcyclohexane-1-carboxylic acid
CID 65392622
1-[(5-bromo-2-fluorophenyl)methyl]-3-methylcyclopentan-1-ol
CID 65153621
4-tert-butyl-1-[(4-propan-2-ylphenyl)methyl]cyclohexan-1-ol
CID 65147785

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol (CID 60798328) is 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol is CC1CCC(O)(Cc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol?
The InChIKey is LXHAOBMCVPOAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-11-6-8-14(16,9-7-11)10-12-2-4-13(15)5-3-12/h2-5,11,16H,6-10H2,1H3.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol?
1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol has a molecular weight of 283.21 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-methylcyclohexan-1-ol is sourced from PubChem (CID 60798328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).