(1S)-1-(3,4-dichlorophenyl)ethanol

C8H8Cl2O — CID 41097408

IUPAC(1S)-1-(3,4-dichlorophenyl)ethanol
SMILESC[C@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3/t5-/m0/s1
InChIKeyVZTGSONNNMGQNQ-YFKPBYRVSA-N
MW191.06 g/mol
LogP3.05
Rot. Bonds1

About (1S)-1-(3,4-dichlorophenyl)ethanol

(1S)-1-(3,4-dichlorophenyl)ethanol (PubChem CID 41097408) has the molecular formula C8H8Cl2O and a molecular weight of 191.06 g/mol. Its IUPAC name is (1S)-1-(3,4-dichlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3,4-dichlorophenyl)ethanol
PubChem CID41097408
Molecular FormulaC8H8Cl2O
Molecular Weight191.06 g/mol
Exact Mass190.00
IUPAC Name(1S)-1-(3,4-dichlorophenyl)ethanol
SMILESC[C@H](O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H8Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3/t5-/m0/s1
InChIKeyVZTGSONNNMGQNQ-YFKPBYRVSA-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 (1S)-1-(3,4-dichlorophenyl)ethanol?
The IUPAC name of (1S)-1-(3,4-dichlorophenyl)ethanol (CID 41097408) is (1S)-1-(3,4-dichlorophenyl)ethanol.
What is the SMILES notation for (1S)-1-(3,4-dichlorophenyl)ethanol?
The canonical SMILES for (1S)-1-(3,4-dichlorophenyl)ethanol is C[C@H](O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S)-1-(3,4-dichlorophenyl)ethanol?
The InChIKey is VZTGSONNNMGQNQ-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H8Cl2O/c1-5(11)6-2-3-7(9)8(10)4-6/h2-5,11H,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(3,4-dichlorophenyl)ethanol?
(1S)-1-(3,4-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 (1S)-1-(3,4-dichlorophenyl)ethanol is sourced from PubChem (CID 41097408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).