cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol

C13H17BrO — CID 125425810

IUPACcis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol
SMILESC[C@H]1CCC[C@@](O)(c2ccccc2Br)C1
InChIInChI=1S/C13H17BrO/c1-10-5-4-8-13(15,9-10)11-6-2-3-7-12(11)14/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-,13-/m0/s1
InChIKeyCBNWRLJTBYMBBX-GWCFXTLKSA-N
MW269.18 g/mol
LogP3.85
Rot. Bonds1

About cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol

cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol (PubChem CID 125425810) has the molecular formula C13H17BrO and a molecular weight of 269.18 g/mol. Its IUPAC name is cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol
PubChem CID125425810
Molecular FormulaC13H17BrO
Molecular Weight269.18 g/mol
Exact Mass268.05
IUPAC Namecis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol
SMILESC[C@H]1CCC[C@@](O)(c2ccccc2Br)C1
InChIInChI=1S/C13H17BrO/c1-10-5-4-8-13(15,9-10)11-6-2-3-7-12(11)14/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-,13-/m0/s1
InChIKeyCBNWRLJTBYMBBX-GWCFXTLKSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.18
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-fluorophenyl)-3-methylcyclohexan-1-ol
CID 106644257
1-[2-(2-methoxyethoxy)phenyl]-3-methylcyclohexan-1-ol
CID 104658449
(3R,6R)-3-(2-bromophenyl)-6-methylthian-3-ol
CID 125427015
1-(5-fluoro-2-methylphenyl)-3-methylcyclohexan-1-ol
CID 62788300
(3S)-3-(2-bromophenyl)thian-3-ol
CID 125041514
2-[(1R,3S)-1-hydroxy-3-methylcyclopentyl]benzonitrile
CID 125425746
1-(2,5-dimethoxyphenyl)-3-methylcyclohexan-1-ol
CID 62802493
4-(2-bromophenyl)-1-methylpiperidin-4-ol
CID 53417639
1-(2,3-difluorophenyl)-3-methylcyclopentan-1-ol
CID 64516207
1-(2,3-dihydrofuran-5-yl)-3-methylcyclohexan-1-ol
CID 102650429
1-(4-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794519
1-(3-methoxyphenyl)-3-methylcyclohexan-1-ol
CID 60794651

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol?
The IUPAC name of cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol (CID 125425810) is cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol.
What is the SMILES notation for cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol?
The canonical SMILES for cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol is C[C@H]1CCC[C@@](O)(c2ccccc2Br)C1.
What is the InChIKey of cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol?
The InChIKey is CBNWRLJTBYMBBX-GWCFXTLKSA-N. The full InChI is InChI=1S/C13H17BrO/c1-10-5-4-8-13(15,9-10)11-6-2-3-7-12(11)14/h2-3,6-7,10,15H,4-5,8-9H2,1H3/t10-,13-/m0/s1.
What are the key properties of cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol?
cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol has a molecular weight of 269.18 g/mol, XLogP of 3.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-1-(2-bromophenyl)-3-methylcyclohexan-1-ol is sourced from PubChem (CID 125425810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).