1-(2,3-dichlorophenyl)ethanol

C8H8Cl2O — CID 600228

IUPAC1-(2,3-dichlorophenyl)ethanol
SMILESCC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3
InChIKeyQSCSGMDRGGZRRA-UHFFFAOYSA-N
MW191.06 g/mol
LogP3.05
Rot. Bonds1

About 1-(2,3-dichlorophenyl)ethanol

1-(2,3-dichlorophenyl)ethanol (PubChem CID 600228) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)ethanol
PubChem CID600228
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name1-(2,3-dichlorophenyl)ethanol
SMILESCC(O)c1cccc(Cl)c1Cl
InChIInChI=1S/C8H8Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3
InChIKeyQSCSGMDRGGZRRA-UHFFFAOYSA-N
XLogP3.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.06
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)ethanol?
The IUPAC name of 1-(2,3-dichlorophenyl)ethanol (CID 600228) is 1-(2,3-dichlorophenyl)ethanol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)ethanol?
The canonical SMILES for 1-(2,3-dichlorophenyl)ethanol is CC(O)c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(2,3-dichlorophenyl)ethanol?
The InChIKey is QSCSGMDRGGZRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)ethanol?
1-(2,3-dichlorophenyl)ethanol has a molecular weight of 191.06 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)ethanol is sourced from PubChem (CID 600228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).