4-[(1S)-2-chloro-1-hydroxyethyl]phenol

C8H9ClO2 — CID 93341607

IUPAC4-[(1S)-2-chloro-1-hydroxyethyl]phenol
SMILESOc1ccc([C@H](O)CCl)cc1
InChIInChI=1S/C8H9ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5H2/t8-/m1/s1
InChIKeyLIRPGLPOHOMCQF-MRVPVSSYSA-N
MW172.61 g/mol
LogP1.66
Rot. Bonds2

About 4-[(1S)-2-chloro-1-hydroxyethyl]phenol

4-[(1S)-2-chloro-1-hydroxyethyl]phenol (PubChem CID 93341607) has the molecular formula C8H9ClO2 and a molecular weight of 172.61 g/mol. Its IUPAC name is 4-[(1S)-2-chloro-1-hydroxyethyl]phenol.

Molecular Properties

Compound Name4-[(1S)-2-chloro-1-hydroxyethyl]phenol
PubChem CID93341607
Molecular FormulaC8H9ClO2
Molecular Weight172.61 g/mol
Exact Mass172.03
IUPAC Name4-[(1S)-2-chloro-1-hydroxyethyl]phenol
SMILESOc1ccc([C@H](O)CCl)cc1
InChIInChI=1S/C8H9ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5H2/t8-/m1/s1
InChIKeyLIRPGLPOHOMCQF-MRVPVSSYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-2-chloro-1-(4-methylphenyl)ethanol
CID 79006103
(1S)-2-chloro-1-phenylethanol
CID 643323
2-chloro-1-[4-(2-chloroethyl)phenyl]ethanol
CID 54350768
2-chloro-1-(4-methoxyphenyl)ethanol
CID 12862876
(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
CID 23836266
(1R)-2-chloro-1-(3,4-dimethylphenyl)ethanol
CID 83000699
3-chloro-2-(4-hydroxyphenyl)propanal
CID 174457268
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
4-[(1S)-1-hydroxy-2-(propan-2-ylamino)ethyl]phenol
CID 76959355
4-(1-hydroxytridecyl)phenol
CID 57120972
4-[1-hydroxy-4-(hydroxyamino)butyl]phenol
CID 91538855
4-(2-amino-1-hydroxyethyl)phenol;sulfurous acid
CID 11413666

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-2-chloro-1-hydroxyethyl]phenol?
The IUPAC name of 4-[(1S)-2-chloro-1-hydroxyethyl]phenol (CID 93341607) is 4-[(1S)-2-chloro-1-hydroxyethyl]phenol.
What is the SMILES notation for 4-[(1S)-2-chloro-1-hydroxyethyl]phenol?
The canonical SMILES for 4-[(1S)-2-chloro-1-hydroxyethyl]phenol is Oc1ccc([C@H](O)CCl)cc1.
What is the InChIKey of 4-[(1S)-2-chloro-1-hydroxyethyl]phenol?
The InChIKey is LIRPGLPOHOMCQF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H9ClO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5H2/t8-/m1/s1.
What are the key properties of 4-[(1S)-2-chloro-1-hydroxyethyl]phenol?
4-[(1S)-2-chloro-1-hydroxyethyl]phenol has a molecular weight of 172.61 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-2-chloro-1-hydroxyethyl]phenol is sourced from PubChem (CID 93341607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).