2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol

C13H19ClO — CID 10585384

IUPAC2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClO/c1-12(2,3)9-13(4,15)10-6-5-7-11(14)8-10/h5-8,15H,9H2,1-4H3
InChIKeyXFTQCOZWNPOOON-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.98
Rot. Bonds2

About 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol

2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol (PubChem CID 10585384) has the molecular formula C13H19ClO and a molecular weight of 226.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
PubChem CID10585384
Molecular FormulaC13H19ClO
Molecular Weight226.75 g/mol
Exact Mass226.11
IUPAC Name2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C13H19ClO/c1-12(2,3)9-13(4,15)10-6-5-7-11(14)8-10/h5-8,15H,9H2,1-4H3
InChIKeyXFTQCOZWNPOOON-UHFFFAOYSA-N
XLogP3.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(3-chlorophenyl)pentan-2-ol
CID 93299128
2-(3-chlorophenyl)hex-5-yn-2-ol
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2-(3-chlorophenyl)-1-(3,4-difluorophenyl)propan-2-ol
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CID 60797682
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947
2-(3-chlorophenyl)-1-(2-methoxyethylamino)propan-2-ol
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2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
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2-(3-chlorophenyl)but-3-yn-2-ol
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2-(3-chlorophenyl)-2-methylpropane-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol (CID 10585384) is 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(C)(O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol?
The InChIKey is XFTQCOZWNPOOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO/c1-12(2,3)9-13(4,15)10-6-5-7-11(14)8-10/h5-8,15H,9H2,1-4H3.
What are the key properties of 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol?
2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol has a molecular weight of 226.75 g/mol, XLogP of 3.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 10585384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).