2-(2-chlorophenyl)pentan-3-ol

C11H15ClO — CID 79298704

IUPAC2-(2-chlorophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1ccccc1Cl
InChIInChI=1S/C11H15ClO/c1-3-11(13)8(2)9-6-4-5-7-10(9)12/h4-8,11,13H,3H2,1-2H3
InChIKeyPTHGTOVFOLWLHB-UHFFFAOYSA-N
MW198.69 g/mol
LogP3.21
Rot. Bonds3

About 2-(2-chlorophenyl)pentan-3-ol

2-(2-chlorophenyl)pentan-3-ol (PubChem CID 79298704) has the molecular formula C11H15ClO and a molecular weight of 198.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)pentan-3-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)pentan-3-ol
PubChem CID79298704
Molecular FormulaC11H15ClO
Molecular Weight198.69 g/mol
Exact Mass198.08
IUPAC Name2-(2-chlorophenyl)pentan-3-ol
SMILESCCC(O)C(C)c1ccccc1Cl
InChIInChI=1S/C11H15ClO/c1-3-11(13)8(2)9-6-4-5-7-10(9)12/h4-8,11,13H,3H2,1-2H3
InChIKeyPTHGTOVFOLWLHB-UHFFFAOYSA-N
XLogP3.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.69
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dichlorophenyl)pentan-3-ol
CID 79297929
2-(2-chlorophenyl)-4-methylpentan-3-ol
CID 79299181
2-(4-bromo-2-chlorophenyl)pentan-3-ol
CID 82781712
(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
5-(2-chlorophenyl)hexane-2,3-diol
CID 83924274
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
6-(2,3-dichlorophenyl)heptane-3,4-diol
CID 83924756
1-(2-chlorophenyl)-2-methylpentan-1-ol
CID 63902435
1-chloro-2-[(1S)-1-phenylpropyl]benzene
CID 126732807
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
2-[2-(difluoromethylsulfonyl)phenyl]pentan-3-ol
CID 63562518
3-(2-chlorophenyl)-2-methylbutanoic acid
CID 81008605

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)pentan-3-ol?
The IUPAC name of 2-(2-chlorophenyl)pentan-3-ol (CID 79298704) is 2-(2-chlorophenyl)pentan-3-ol.
What is the SMILES notation for 2-(2-chlorophenyl)pentan-3-ol?
The canonical SMILES for 2-(2-chlorophenyl)pentan-3-ol is CCC(O)C(C)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)pentan-3-ol?
The InChIKey is PTHGTOVFOLWLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO/c1-3-11(13)8(2)9-6-4-5-7-10(9)12/h4-8,11,13H,3H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)pentan-3-ol?
2-(2-chlorophenyl)pentan-3-ol has a molecular weight of 198.69 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)pentan-3-ol is sourced from PubChem (CID 79298704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).