1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol

C14H21BrO — CID 107985814

IUPAC1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
SMILESCc1cccc(C(O)CCCC(C)C)c1Br
InChIInChI=1S/C14H21BrO/c1-10(2)6-4-9-13(16)12-8-5-7-11(3)14(12)15/h5,7-8,10,13,16H,4,6,9H2,1-3H3
InChIKeyAUDGMNSBQYGLTP-UHFFFAOYSA-N
MW285.23 g/mol
LogP4.62
Rot. Bonds5

About 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol

1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol (PubChem CID 107985814) has the molecular formula C14H21BrO and a molecular weight of 285.23 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
PubChem CID107985814
Molecular FormulaC14H21BrO
Molecular Weight285.23 g/mol
Exact Mass284.08
IUPAC Name1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol
SMILESCc1cccc(C(O)CCCC(C)C)c1Br
InChIInChI=1S/C14H21BrO/c1-10(2)6-4-9-13(16)12-8-5-7-11(3)14(12)15/h5,7-8,10,13,16H,4,6,9H2,1-3H3
InChIKeyAUDGMNSBQYGLTP-UHFFFAOYSA-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-(2-bromo-3-methylphenyl)but-3-yn-1-ol
CID 107985878
1-(2-bromo-3-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107985716
2-(2-bromo-3-methylphenyl)propan-1-ol
CID 117329757
1-(2-bromo-3-methylphenyl)-2-(2,3-difluorophenyl)ethanol
CID 107983842
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
1-(2-bromo-3-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107985732
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296
1-(2-bromo-3-methylphenyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 114024293
2-(4-bromo-2-chlorophenyl)-1-(2-bromo-3-methylphenyl)ethanol
CID 107985833
1-(2-bromo-3-methylphenyl)-2-(2,4-difluorophenyl)ethanol
CID 107983845
1-(2-bromo-3-methylphenyl)-3-methylbutan-1-amine
CID 107984716
1-(2,5-dimethylphenyl)-5-methylhexan-1-ol
CID 83158845

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol (CID 107985814) is 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol is Cc1cccc(C(O)CCCC(C)C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol?
The InChIKey is AUDGMNSBQYGLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO/c1-10(2)6-4-9-13(16)12-8-5-7-11(3)14(12)15/h5,7-8,10,13,16H,4,6,9H2,1-3H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol?
1-(2-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 1-(2-bromo-3-methylphenyl)-5-methylhexan-1-ol is sourced from PubChem (CID 107985814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).