2-(2-chlorophenyl)propan-2-ol

C9H11ClO — CID 12759846

IUPAC2-(2-chlorophenyl)propan-2-ol
SMILESCC(C)(O)c1ccccc1Cl
InChIInChI=1S/C9H11ClO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3
InChIKeyUALUYGFVNLQVFT-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.57
Rot. Bonds1

About 2-(2-chlorophenyl)propan-2-ol

2-(2-chlorophenyl)propan-2-ol (PubChem CID 12759846) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-(2-chlorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)propan-2-ol
PubChem CID12759846
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-(2-chlorophenyl)propan-2-ol
SMILESCC(C)(O)c1ccccc1Cl
InChIInChI=1S/C9H11ClO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3
InChIKeyUALUYGFVNLQVFT-UHFFFAOYSA-N
XLogP2.57
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2R)-2-(2-chlorophenyl)-2-hydroxypropanenitrile
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2-(2-chlorophenyl)-4-methylpentan-2-ol
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2-amino-2-(2-chlorophenyl)propan-1-ol
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1-chloro-2-(trichloromethyl)benzene
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1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
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CID 62788125
4-amino-2-(2-chlorophenyl)butan-2-ol;hydrochloride
CID 140625468
1-(2-chlorophenyl)butane-1,1-diol
CID 150424149
1,1-bis(2-chlorophenyl)ethane-1,2-diol
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2-(2,4-dichlorophenyl)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)propan-2-ol (CID 12759846) is 2-(2-chlorophenyl)propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)propan-2-ol is CC(C)(O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)propan-2-ol?
The InChIKey is UALUYGFVNLQVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-9(2,11)7-5-3-4-6-8(7)10/h3-6,11H,1-2H3.
What are the key properties of 2-(2-chlorophenyl)propan-2-ol?
2-(2-chlorophenyl)propan-2-ol has a molecular weight of 170.64 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)propan-2-ol is sourced from PubChem (CID 12759846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).