2-(3-chloro-2-methoxy-6-methylphenyl)ethanol

C10H13ClO2 — CID 117289652

IUPAC2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
SMILESCOc1c(Cl)ccc(C)c1CCO
InChIInChI=1S/C10H13ClO2/c1-7-3-4-9(11)10(13-2)8(7)5-6-12/h3-4,12H,5-6H2,1-2H3
InChIKeyPNZVPIAPQRHZJJ-UHFFFAOYSA-N
MW200.66 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol

2-(3-chloro-2-methoxy-6-methylphenyl)ethanol (PubChem CID 117289652) has the molecular formula C10H13ClO2 and a molecular weight of 200.66 g/mol. Its IUPAC name is 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
PubChem CID117289652
Molecular FormulaC10H13ClO2
Molecular Weight200.66 g/mol
Exact Mass200.06
IUPAC Name2-(3-chloro-2-methoxy-6-methylphenyl)ethanol
SMILESCOc1c(Cl)ccc(C)c1CCO
InChIInChI=1S/C10H13ClO2/c1-7-3-4-9(11)10(13-2)8(7)5-6-12/h3-4,12H,5-6H2,1-2H3
InChIKeyPNZVPIAPQRHZJJ-UHFFFAOYSA-N
XLogP2.19
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-methoxy-3,5-dimethylphenyl)ethanol
CID 117306109
3-chloro-2-methoxy-6-methylbenzenethiol
CID 91874666
2-(2-methoxy-3-methyl-6-methylsulfanylphenyl)ethanol
CID 117303285
4-[(3-chloro-2-methoxy-6-methylphenyl)methyl]piperidine
CID 117387735
2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992
(4-chloro-2,3-dimethoxyphenyl)methanol
CID 84671127
2-(3-chloro-2-methoxyanilino)ethanol
CID 130667587
1-(3-chloro-2-methoxy-6-methylphenyl)ethanone
CID 84668544
2-(3-chloro-6-hydroxy-2-methoxyphenyl)-3-methoxy-4-methylphenol
CID 143347390
3-(2-aminoethyl)-2-methoxy-4-methylphenol
CID 117278761
[3-(hydroxymethyl)-2-methoxy-4-methylphenyl]methanol
CID 91618259

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol?
The IUPAC name of 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol (CID 117289652) is 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol is COc1c(Cl)ccc(C)c1CCO.
What is the InChIKey of 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol?
The InChIKey is PNZVPIAPQRHZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO2/c1-7-3-4-9(11)10(13-2)8(7)5-6-12/h3-4,12H,5-6H2,1-2H3.
What are the key properties of 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol?
2-(3-chloro-2-methoxy-6-methylphenyl)ethanol has a molecular weight of 200.66 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methoxy-6-methylphenyl)ethanol is sourced from PubChem (CID 117289652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).