3-(4-chloro-3-ethylphenyl)pentan-3-ol

C13H19ClO — CID 91655907

IUPAC3-(4-chloro-3-ethylphenyl)pentan-3-ol
SMILESCCc1cc(C(O)(CC)CC)ccc1Cl
InChIInChI=1S/C13H19ClO/c1-4-10-9-11(7-8-12(10)14)13(15,5-2)6-3/h7-9,15H,4-6H2,1-3H3
InChIKeyPOXVEKLQECSOPZ-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.91
Rot. Bonds4

About 3-(4-chloro-3-ethylphenyl)pentan-3-ol

3-(4-chloro-3-ethylphenyl)pentan-3-ol (PubChem CID 91655907) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 3-(4-chloro-3-ethylphenyl)pentan-3-ol.

Molecular Properties

Compound Name3-(4-chloro-3-ethylphenyl)pentan-3-ol
PubChem CID91655907
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name3-(4-chloro-3-ethylphenyl)pentan-3-ol
SMILESCCc1cc(C(O)(CC)CC)ccc1Cl
InChIInChI=1S/C13H19ClO/c1-4-10-9-11(7-8-12(10)14)13(15,5-2)6-3/h7-9,15H,4-6H2,1-3H3
InChIKeyPOXVEKLQECSOPZ-UHFFFAOYSA-N
XLogP3.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-chloro-3-fluorophenyl)pentan-3-ol
CID 91656809
4-chloro-3-ethylbenzoic acid
CID 21412279
3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
CID 44630004
3-(4-ethylphenyl)pentan-3-ol
CID 62543234
(2S)-2-(3,4-dichlorophenyl)butan-2-ol
CID 94471655
1-(4-chloro-3-ethylphenyl)-2-methylprop-2-en-1-one
CID 130136666
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
3-(2H-benzotriazol-5-yl)pentan-3-ol
CID 58731201
1,3-diamino-2-(3,4-dichlorophenyl)propan-2-ol
CID 57144234
2-chloro-N-[2-(3,4-dichlorophenyl)-2-hydroxybutyl]-N-phenylacetamide
CID 173162232
3-chloro-1-(4-chloro-3-ethylphenyl)-2,2-dimethylpropan-1-one
CID 146008337
1-chloro-2-ethyl-4-(trifluoromethoxy)benzene
CID 70889099

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-ethylphenyl)pentan-3-ol?
The IUPAC name of 3-(4-chloro-3-ethylphenyl)pentan-3-ol (CID 91655907) is 3-(4-chloro-3-ethylphenyl)pentan-3-ol.
What is the SMILES notation for 3-(4-chloro-3-ethylphenyl)pentan-3-ol?
The canonical SMILES for 3-(4-chloro-3-ethylphenyl)pentan-3-ol is CCc1cc(C(O)(CC)CC)ccc1Cl.
What is the InChIKey of 3-(4-chloro-3-ethylphenyl)pentan-3-ol?
The InChIKey is POXVEKLQECSOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-4-10-9-11(7-8-12(10)14)13(15,5-2)6-3/h7-9,15H,4-6H2,1-3H3.
What are the key properties of 3-(4-chloro-3-ethylphenyl)pentan-3-ol?
3-(4-chloro-3-ethylphenyl)pentan-3-ol has a molecular weight of 226.75 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-ethylphenyl)pentan-3-ol is sourced from PubChem (CID 91655907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).