1-(2-chlorophenyl)-2-methylpentan-1-ol

C12H17ClO — CID 63902435

IUPAC1-(2-chlorophenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-3-6-9(2)12(14)10-7-4-5-8-11(10)13/h4-5,7-9,12,14H,3,6H2,1-2H3
InChIKeyOYOPILQRELFVNV-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.81
Rot. Bonds4

About 1-(2-chlorophenyl)-2-methylpentan-1-ol

1-(2-chlorophenyl)-2-methylpentan-1-ol (PubChem CID 63902435) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-methylpentan-1-ol
PubChem CID63902435
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name1-(2-chlorophenyl)-2-methylpentan-1-ol
SMILESCCCC(C)C(O)c1ccccc1Cl
InChIInChI=1S/C12H17ClO/c1-3-6-9(2)12(14)10-7-4-5-8-11(10)13/h4-5,7-9,12,14H,3,6H2,1-2H3
InChIKeyOYOPILQRELFVNV-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,2R)-1-(2-chlorophenyl)pentane-1,2-diol
CID 137375646
3-amino-1-(2-chlorophenyl)-2-methylpropan-1-ol
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1-(2-iodophenyl)-2-methylpentan-1-ol
CID 107894745
(1S,2R)-1-(2-chlorophenyl)propane-1,2-diol
CID 66634039
1-(2-chlorophenyl)propane-1,2-diol;ethane
CID 144705754
1-(2-chlorophenyl)-2-phenylbutan-1-ol
CID 114980516
1-(2-chlorophenyl)-2,3-dimethylbutan-1-ol
CID 114980469
1-chloro-2-(1-chlorobutyl)benzene
CID 18417584
1-(2-chlorophenyl)hexan-1-ol
CID 62606389
4-[(2-chlorophenyl)-hydroxymethyl]nonan-5-one
CID 15416358
1-(2-chlorophenyl)-2-(pentan-2-ylamino)ethanol
CID 60898219
1-(2-chlorophenyl)butane-1-thiol
CID 57287441

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-methylpentan-1-ol?
The IUPAC name of 1-(2-chlorophenyl)-2-methylpentan-1-ol (CID 63902435) is 1-(2-chlorophenyl)-2-methylpentan-1-ol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-methylpentan-1-ol?
The canonical SMILES for 1-(2-chlorophenyl)-2-methylpentan-1-ol is CCCC(C)C(O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-methylpentan-1-ol?
The InChIKey is OYOPILQRELFVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-3-6-9(2)12(14)10-7-4-5-8-11(10)13/h4-5,7-9,12,14H,3,6H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-2-methylpentan-1-ol?
1-(2-chlorophenyl)-2-methylpentan-1-ol has a molecular weight of 212.72 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-methylpentan-1-ol is sourced from PubChem (CID 63902435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).