1-(2-chloro-5-methylphenyl)ethanol;ethane

C11H17ClO — CID 143592290

IUPAC1-(2-chloro-5-methylphenyl)ethanol;ethane
SMILESCC.Cc1ccc(Cl)c(C(C)O)c1
InChIInChI=1S/C9H11ClO.C2H6/c1-6-3-4-9(10)8(5-6)7(2)11;1-2/h3-5,7,11H,1-2H3;1-2H3
InChIKeyYZDMIJSLSBNCLA-UHFFFAOYSA-N
MW200.71 g/mol
LogP3.73
Rot. Bonds1

About 1-(2-chloro-5-methylphenyl)ethanol;ethane

1-(2-chloro-5-methylphenyl)ethanol;ethane (PubChem CID 143592290) has the molecular formula C11H17ClO and a molecular weight of 200.71 g/mol. Its IUPAC name is 1-(2-chloro-5-methylphenyl)ethanol;ethane.

Molecular Properties

Compound Name1-(2-chloro-5-methylphenyl)ethanol;ethane
PubChem CID143592290
Molecular FormulaC11H17ClO
Molecular Weight200.71 g/mol
Exact Mass200.10
IUPAC Name1-(2-chloro-5-methylphenyl)ethanol;ethane
SMILESCC.Cc1ccc(Cl)c(C(C)O)c1
InChIInChI=1S/C9H11ClO.C2H6/c1-6-3-4-9(10)8(5-6)7(2)11;1-2/h3-5,7,11H,1-2H3;1-2H3
InChIKeyYZDMIJSLSBNCLA-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-5-methylphenyl)propan-1-ol
CID 83988244
1-[2-chloro-5-(difluoromethyl)phenyl]ethanol
CID 84674717
1-(2-chloro-5-methylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819408
1-chloro-2-heptan-4-yl-4-methylbenzene
CID 134594279
(1R)-1-[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]ethanol
CID 63374690
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
methyl 3-(2-chloro-5-methylphenyl)-2,3-dihydroxypropanoate
CID 171863608
1-(2-chloro-5-methylphenyl)-2-(1,3-dioxolan-2-yl)ethanol
CID 131075373
1-(5-methyl-2-methylsulfinylphenyl)ethanol
CID 15273157
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
1-[2-(1,1-difluoroethyl)-5-methylphenyl]ethanol
CID 84669441
1-(2-chloro-5-methylphenyl)-2,2-difluoro-N-methylethanamine
CID 130690285

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-methylphenyl)ethanol;ethane?
The IUPAC name of 1-(2-chloro-5-methylphenyl)ethanol;ethane (CID 143592290) is 1-(2-chloro-5-methylphenyl)ethanol;ethane.
What is the SMILES notation for 1-(2-chloro-5-methylphenyl)ethanol;ethane?
The canonical SMILES for 1-(2-chloro-5-methylphenyl)ethanol;ethane is CC.Cc1ccc(Cl)c(C(C)O)c1.
What is the InChIKey of 1-(2-chloro-5-methylphenyl)ethanol;ethane?
The InChIKey is YZDMIJSLSBNCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO.C2H6/c1-6-3-4-9(10)8(5-6)7(2)11;1-2/h3-5,7,11H,1-2H3;1-2H3.
What are the key properties of 1-(2-chloro-5-methylphenyl)ethanol;ethane?
1-(2-chloro-5-methylphenyl)ethanol;ethane has a molecular weight of 200.71 g/mol, XLogP of 3.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-methylphenyl)ethanol;ethane is sourced from PubChem (CID 143592290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).