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

C14H21BrO2 — CID 65327514

IUPAC1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H21BrO2/c1-4-5-10(2)14(16)9-11-8-12(17-3)6-7-13(11)15/h6-8,10,14,16H,4-5,9H2,1-3H3
InChIKeyVOSWKKOWNYSKOA-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.80
Rot. Bonds6

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

1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol (PubChem CID 65327514) has the molecular formula C14H21BrO2 and a molecular weight of 301.22 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
PubChem CID65327514
Molecular FormulaC14H21BrO2
Molecular Weight301.22 g/mol
Exact Mass300.07
IUPAC Name1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)Cc1cc(OC)ccc1Br
InChIInChI=1S/C14H21BrO2/c1-4-5-10(2)14(16)9-11-8-12(17-3)6-7-13(11)15/h6-8,10,14,16H,4-5,9H2,1-3H3
InChIKeyVOSWKKOWNYSKOA-UHFFFAOYSA-N
XLogP3.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-methoxyphenyl)-4-methoxy-3-methylbutan-2-ol
CID 116502554
1-(2-bromo-5-methoxyphenyl)-3-methylbutan-2-ol
CID 65328089
1-(2-bromo-5-methoxyphenyl)-N,3-dimethylhexan-2-amine
CID 115862124
1-(2-bromo-5-methoxyphenyl)pentan-2-amine
CID 65325502
1-(2-bromo-5-methoxyphenyl)-N-ethylpentan-2-amine
CID 65325458
1-bromo-2-(3-chloro-2-methylbutyl)-4-methoxybenzene
CID 65326952
1-(2-bromo-5-methoxyphenyl)-N-propan-2-ylhexan-2-amine
CID 79412793
1-(2-bromo-5-methoxyphenyl)-3-ethyl-3-methoxypentan-2-ol
CID 116752716
1-(2-bromo-5-methoxyphenyl)-4-methoxypentan-2-ol
CID 113391274
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
1-(2-bromo-5-methoxyphenyl)-N-ethylpropan-2-amine
CID 65325217
1-(2-bromo-5-methoxyphenyl)-5-methoxypentan-2-ol
CID 65325734

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol (CID 65327514) is 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol is CCCC(C)C(O)Cc1cc(OC)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol?
The InChIKey is VOSWKKOWNYSKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrO2/c1-4-5-10(2)14(16)9-11-8-12(17-3)6-7-13(11)15/h6-8,10,14,16H,4-5,9H2,1-3H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol?
1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol has a molecular weight of 301.22 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-3-methylhexan-2-ol is sourced from PubChem (CID 65327514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).