(1S)-1-(3-chlorophenyl)ethanol

C8H9ClO — CID 6950741

IUPAC(1S)-1-(3-chlorophenyl)ethanol
SMILESC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m0/s1
InChIKeyQYUQVBHGBPRDKN-LURJTMIESA-N
MW156.61 g/mol
LogP2.39
Rot. Bonds1

About (1S)-1-(3-chlorophenyl)ethanol

(1S)-1-(3-chlorophenyl)ethanol (PubChem CID 6950741) has the molecular formula C8H9ClO and a molecular weight of 156.61 g/mol. Its IUPAC name is (1S)-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-chlorophenyl)ethanol
PubChem CID6950741
Molecular FormulaC8H9ClO
Molecular Weight156.61 g/mol
Exact Mass156.03
IUPAC Name(1S)-1-(3-chlorophenyl)ethanol
SMILESC[C@H](O)c1cccc(Cl)c1
InChIInChI=1S/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m0/s1
InChIKeyQYUQVBHGBPRDKN-LURJTMIESA-N
XLogP2.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.61
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-chlorophenyl)ethanol?
The IUPAC name of (1S)-1-(3-chlorophenyl)ethanol (CID 6950741) is (1S)-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-chlorophenyl)ethanol?
The canonical SMILES for (1S)-1-(3-chlorophenyl)ethanol is C[C@H](O)c1cccc(Cl)c1.
What is the InChIKey of (1S)-1-(3-chlorophenyl)ethanol?
The InChIKey is QYUQVBHGBPRDKN-LURJTMIESA-N. The full InChI is InChI=1S/C8H9ClO/c1-6(10)7-3-2-4-8(9)5-7/h2-6,10H,1H3/t6-/m0/s1.
What are the key properties of (1S)-1-(3-chlorophenyl)ethanol?
(1S)-1-(3-chlorophenyl)ethanol has a molecular weight of 156.61 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-chlorophenyl)ethanol is sourced from PubChem (CID 6950741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).