2-(4-chloro-3-methylphenyl)ethanol

C9H11ClO — CID 2757685

IUPAC2-(4-chloro-3-methylphenyl)ethanol
SMILESCc1cc(CCO)ccc1Cl
InChIInChI=1S/C9H11ClO/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6,11H,4-5H2,1H3
InChIKeyHLXBTHBJWJHJMK-UHFFFAOYSA-N
MW170.64 g/mol
LogP2.18
Rot. Bonds2

About 2-(4-chloro-3-methylphenyl)ethanol

2-(4-chloro-3-methylphenyl)ethanol (PubChem CID 2757685) has the molecular formula C9H11ClO and a molecular weight of 170.64 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenyl)ethanol
PubChem CID2757685
Molecular FormulaC9H11ClO
Molecular Weight170.64 g/mol
Exact Mass170.05
IUPAC Name2-(4-chloro-3-methylphenyl)ethanol
SMILESCc1cc(CCO)ccc1Cl
InChIInChI=1S/C9H11ClO/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6,11H,4-5H2,1H3
InChIKeyHLXBTHBJWJHJMK-UHFFFAOYSA-N
XLogP2.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.64
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-beta-(4-chlorophenyl)benzeneethanol
CID 17533
Benzenemethanol, 4-chloro-alpha-methyl-
CID 18825
p-Chlorophenethylic alcohol
CID 74647
Benzenemethanol, 4-chloro-alpha-(1-methylethyl)-
CID 202426
4-Chloro-alpha,alpha-dimethylbenzeneethanol
CID 79609
4-Chloro-alpha-ethylbenzenemethanol
CID 83774
2,4-Dichloro-alpha-methylbenzenemethanol
CID 92889
3-(2-Chlorophenyl)-propan-1-ol
CID 221970
4-Chlorobenzenepropanol
CID 221971
(R)-1-(4-chlorophenyl)-1-propanol
CID 10080818
1-(2-Chlorophenyl)ethanol
CID 26082
Benzeneethanol, 2-chloro-alpha,alpha-dimethyl-
CID 80403

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenyl)ethanol?
The IUPAC name of 2-(4-chloro-3-methylphenyl)ethanol (CID 2757685) is 2-(4-chloro-3-methylphenyl)ethanol.
What is the SMILES notation for 2-(4-chloro-3-methylphenyl)ethanol?
The canonical SMILES for 2-(4-chloro-3-methylphenyl)ethanol is Cc1cc(CCO)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenyl)ethanol?
The InChIKey is HLXBTHBJWJHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6,11H,4-5H2,1H3.
What are the key properties of 2-(4-chloro-3-methylphenyl)ethanol?
2-(4-chloro-3-methylphenyl)ethanol has a molecular weight of 170.64 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenyl)ethanol is sourced from PubChem (CID 2757685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).