1-chloro-2-phenylethanol;hydrochloride

C8H10Cl2O — CID 174648603

IUPAC1-chloro-2-phenylethanol;hydrochloride
SMILESCl.OC(Cl)Cc1ccccc1
InChIInChI=1S/C8H9ClO.ClH/c9-8(10)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2;1H
InChIKeyPEIKXVTXNAYKBR-UHFFFAOYSA-N
MW193.07 g/mol
LogP2.21
Rot. Bonds2

About 1-chloro-2-phenylethanol;hydrochloride

1-chloro-2-phenylethanol;hydrochloride (PubChem CID 174648603) has the molecular formula C8H10Cl2O and a molecular weight of 193.07 g/mol. Its IUPAC name is 1-chloro-2-phenylethanol;hydrochloride.

Molecular Properties

Compound Name1-chloro-2-phenylethanol;hydrochloride
PubChem CID174648603
Molecular FormulaC8H10Cl2O
Molecular Weight193.07 g/mol
Exact Mass192.01
IUPAC Name1-chloro-2-phenylethanol;hydrochloride
SMILESCl.OC(Cl)Cc1ccccc1
InChIInChI=1S/C8H9ClO.ClH/c9-8(10)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2;1H
InChIKeyPEIKXVTXNAYKBR-UHFFFAOYSA-N
XLogP2.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-chloro-3-phenylpropanoic acid;hydrochloride
CID 87933101
(1R)-1,2-diphenylethanol
CID 1379022
(1S)-1-chloro-2-phenylethanethiol
CID 124584825
(1R)-1-fluoro-2-phenylethanol
CID 163366132
1,6-diphenylhexane-2,5-diol
CID 15072586
(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
[(2R)-2-chloro-2-[(1S)-1-chloro-2-phenylethoxy]ethyl]benzene
CID 98043941
N,1-dichloro-2-phenylethanamine
CID 87755086
2-phenylethane-1,1-diamine;dihydrochloride
CID 90190453
(3S)-3-chloro-4-phenylbutan-2-one
CID 93194172
3-chloro-2-oxo-4-phenylbutanoic acid
CID 165024954

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-phenylethanol;hydrochloride?
The IUPAC name of 1-chloro-2-phenylethanol;hydrochloride (CID 174648603) is 1-chloro-2-phenylethanol;hydrochloride.
What is the SMILES notation for 1-chloro-2-phenylethanol;hydrochloride?
The canonical SMILES for 1-chloro-2-phenylethanol;hydrochloride is Cl.OC(Cl)Cc1ccccc1.
What is the InChIKey of 1-chloro-2-phenylethanol;hydrochloride?
The InChIKey is PEIKXVTXNAYKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClO.ClH/c9-8(10)6-7-4-2-1-3-5-7;/h1-5,8,10H,6H2;1H.
What are the key properties of 1-chloro-2-phenylethanol;hydrochloride?
1-chloro-2-phenylethanol;hydrochloride has a molecular weight of 193.07 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-phenylethanol;hydrochloride is sourced from PubChem (CID 174648603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).