2-(2-chlorophenyl)-4-methylhexan-1-ol

C13H19ClO — CID 79449327

IUPAC2-(2-chlorophenyl)-4-methylhexan-1-ol
SMILESCCC(C)CC(CO)c1ccccc1Cl
InChIInChI=1S/C13H19ClO/c1-3-10(2)8-11(9-15)12-6-4-5-7-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyOWMLAMIBORRNCW-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.85
Rot. Bonds5

About 2-(2-chlorophenyl)-4-methylhexan-1-ol

2-(2-chlorophenyl)-4-methylhexan-1-ol (PubChem CID 79449327) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-methylhexan-1-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-methylhexan-1-ol
PubChem CID79449327
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name2-(2-chlorophenyl)-4-methylhexan-1-ol
SMILESCCC(C)CC(CO)c1ccccc1Cl
InChIInChI=1S/C13H19ClO/c1-3-10(2)8-11(9-15)12-6-4-5-7-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3
InChIKeyOWMLAMIBORRNCW-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2-chlorophenyl)butyl]propane-1,3-diamine
CID 83924194
2-(2-chlorophenyl)pentan-3-ol
CID 79298704
(2S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol
CID 42135569
2-(2-chlorophenyl)-4-methylsulfonylbutan-1-ol
CID 79449397
2-(2-chlorophenyl)-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 79449044
1-(1-bromo-4-methylpentan-2-yl)-2-chlorobenzene
CID 79454322
4-methyl-2-(4-methylphenyl)hexan-1-ol
CID 79436224
2-(2-chlorophenyl)decan-1-ol;methanesulfonic acid
CID 88842519
2-(2-chlorophenyl)-5-methoxy-5-methylhexan-1-ol
CID 103018095
2-(2-chlorophenyl)-3-(4-chlorophenyl)propan-1-ol;methanesulfonic acid
CID 88843067
1,2-dichloro-3-pentan-3-ylbenzene
CID 67478357
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-methylhexan-1-ol?
The IUPAC name of 2-(2-chlorophenyl)-4-methylhexan-1-ol (CID 79449327) is 2-(2-chlorophenyl)-4-methylhexan-1-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-4-methylhexan-1-ol?
The canonical SMILES for 2-(2-chlorophenyl)-4-methylhexan-1-ol is CCC(C)CC(CO)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-4-methylhexan-1-ol?
The InChIKey is OWMLAMIBORRNCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-3-10(2)8-11(9-15)12-6-4-5-7-13(12)14/h4-7,10-11,15H,3,8-9H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-4-methylhexan-1-ol?
2-(2-chlorophenyl)-4-methylhexan-1-ol has a molecular weight of 226.75 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-methylhexan-1-ol is sourced from PubChem (CID 79449327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).