1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol

C13H18BrClO — CID 83158968

IUPAC1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClO/c1-9(2)4-3-5-13(16)11-8-10(15)6-7-12(11)14/h6-9,13,16H,3-5H2,1-2H3
InChIKeyYXKDRCBTYCNWDZ-UHFFFAOYSA-N
MW305.64 g/mol
LogP4.96
Rot. Bonds5

About 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol

1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol (PubChem CID 83158968) has the molecular formula C13H18BrClO and a molecular weight of 305.64 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
PubChem CID83158968
Molecular FormulaC13H18BrClO
Molecular Weight305.64 g/mol
Exact Mass304.02
IUPAC Name1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1cc(Cl)ccc1Br
InChIInChI=1S/C13H18BrClO/c1-9(2)4-3-5-13(16)11-8-10(15)6-7-12(11)14/h6-9,13,16H,3-5H2,1-2H3
InChIKeyYXKDRCBTYCNWDZ-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.64
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2-bromo-5-chlorophenyl)propane-1,2-diol
CID 130741211
(1S)-1-(2-bromo-5-chlorophenyl)-N-methylethanamine
CID 131168067
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
1-(2-bromo-5-chlorophenyl)-2-cyclopropylethanol
CID 112630970
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol
CID 106693965
(1S,2R)-1-amino-1-(2-bromo-5-chlorophenyl)hexan-2-ol
CID 171267713
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)hexan-2-ol
CID 171262039
(1R)-1-(4-bromo-3-methylphenyl)-5-methylhexan-1-ol
CID 124567296
(4S)-4-amino-4-(2-bromo-5-chlorophenyl)butan-1-ol;hydrochloride
CID 171223329
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol (CID 83158968) is 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol is CC(C)CCCC(O)c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol?
The InChIKey is YXKDRCBTYCNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrClO/c1-9(2)4-3-5-13(16)11-8-10(15)6-7-12(11)14/h6-9,13,16H,3-5H2,1-2H3.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol?
1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol has a molecular weight of 305.64 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol is sourced from PubChem (CID 83158968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).