2-(3,4-dichlorophenyl)propan-2-ol

C9H10Cl2O — CID 17139492

IUPAC2-(3,4-dichlorophenyl)propan-2-ol
SMILESCC(C)(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3
InChIKeyOEMRBIYRSLQRSQ-UHFFFAOYSA-N
MW205.08 g/mol
LogP3.22
Rot. Bonds1

About 2-(3,4-dichlorophenyl)propan-2-ol

2-(3,4-dichlorophenyl)propan-2-ol (PubChem CID 17139492) has the molecular formula C9H10Cl2O and a molecular weight of 205.08 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)propan-2-ol.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)propan-2-ol
PubChem CID17139492
Molecular FormulaC9H10Cl2O
Molecular Weight205.08 g/mol
Exact Mass204.01
IUPAC Name2-(3,4-dichlorophenyl)propan-2-ol
SMILESCC(C)(O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2O/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3
InChIKeyOEMRBIYRSLQRSQ-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.08
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)propan-2-ol?
The IUPAC name of 2-(3,4-dichlorophenyl)propan-2-ol (CID 17139492) is 2-(3,4-dichlorophenyl)propan-2-ol.
What is the SMILES notation for 2-(3,4-dichlorophenyl)propan-2-ol?
The canonical SMILES for 2-(3,4-dichlorophenyl)propan-2-ol is CC(C)(O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)propan-2-ol?
The InChIKey is OEMRBIYRSLQRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O/c1-9(2,12)6-3-4-7(10)8(11)5-6/h3-5,12H,1-2H3.
What are the key properties of 2-(3,4-dichlorophenyl)propan-2-ol?
2-(3,4-dichlorophenyl)propan-2-ol has a molecular weight of 205.08 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)propan-2-ol is sourced from PubChem (CID 17139492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).