(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol

C14H21BrO — CID 124567296

IUPAC(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
SMILESCc1cc([C@H](O)CCCC(C)C)ccc1Br
InChIInChI=1S/C14H21BrO/c1-10(2)5-4-6-14(16)12-7-8-13(15)11(3)9-12/h7-10,14,16H,4-6H2,1-3H3/t14-/m1/s1
InChIKeyWLBWGIIKUMHBSM-CQSZACIVSA-N
MW285.23 g/mol
LogP4.62
Rot. Bonds5

About (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol

(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol (PubChem CID 124567296) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
PubChem CID124567296
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
SMILESCc1cc([C@H](O)CCCC(C)C)ccc1Br
InChIInChI=1S/C14H21BrO/c1-10(2)5-4-6-14(16)12-7-8-13(15)11(3)9-12/h7-10,14,16H,4-6H2,1-3H3/t14-/m1/s1
InChIKeyWLBWGIIKUMHBSM-CQSZACIVSA-N
XLogP4.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-N-ethyl-5-methylhexan-1-amine
CID 105028649
1-(3,4-dimethylphenyl)-4-methylpentan-1-ol
CID 61100498
1-(4-bromo-3-methylphenyl)-2-phenylethanol
CID 81447483
2-amino-1-(4-bromo-3-methylphenyl)-4-methylpentan-1-ol
CID 66480993
1-(4-bromo-3-methylphenyl)-2-(2-chlorophenyl)ethanol
CID 81447481
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 107985814
1-(4-aminophenyl)-5-methylhexan-1-ol
CID 106695506
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-(3-bromophenyl)-4-methylpentan-1-ol
CID 62608745
1-(3-bromo-4-methylphenyl)butan-1-ol
CID 112694547
1-(4-bromo-3-methylphenyl)-2-cyclohexylethanol
CID 81447995

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol?
The IUPAC name of (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol (CID 124567296) is (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol.
What is the SMILES notation for (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol?
The canonical SMILES for (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol is Cc1cc([C@H](O)CCCC(C)C)ccc1Br.
What is the InChIKey of (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol?
The InChIKey is WLBWGIIKUMHBSM-CQSZACIVSA-N. The full InChI is InChI=1S/C14H21BrO/c1-10(2)5-4-6-14(16)12-7-8-13(15)11(3)9-12/h7-10,14,16H,4-6H2,1-3H3/t14-/m1/s1.
What are the key properties of (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol?
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol has a molecular weight of 285.23 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol is sourced from PubChem (CID 124567296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).