1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol

C15H21BrO — CID 64745866

IUPAC1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccccc2Br)CC1C
InChIInChI=1S/C15H21BrO/c1-11-7-8-15(17,9-12(11)2)10-13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyWLXHZHRTLTWMTP-UHFFFAOYSA-N
MW297.24 g/mol
LogP4.18
Rot. Bonds2

About 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol

1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol (PubChem CID 64745866) has the molecular formula C15H21BrO and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
PubChem CID64745866
Molecular FormulaC15H21BrO
Molecular Weight297.24 g/mol
Exact Mass296.08
IUPAC Name1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccccc2Br)CC1C
InChIInChI=1S/C15H21BrO/c1-11-7-8-15(17,9-12(11)2)10-13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10H2,1-2H3
InChIKeyWLXHZHRTLTWMTP-UHFFFAOYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The IUPAC name of 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol (CID 64745866) is 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol is CC1CCC(O)(Cc2ccccc2Br)CC1C.
What is the InChIKey of 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
The InChIKey is WLXHZHRTLTWMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrO/c1-11-7-8-15(17,9-12(11)2)10-13-5-3-4-6-14(13)16/h3-6,11-12,17H,7-10H2,1-2H3.
What are the key properties of 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol?
1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol has a molecular weight of 297.24 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)methyl]-3,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 64745866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).