1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol

C11H15ClO3 — CID 84694066

IUPAC1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
SMILESCOc1c(Cl)cc(C(C)O)c(C)c1OC
InChIInChI=1S/C11H15ClO3/c1-6-8(7(2)13)5-9(12)11(15-4)10(6)14-3/h5,7,13H,1-4H3
InChIKeyWJLCEERWYVFLRI-UHFFFAOYSA-N
MW230.69 g/mol
LogP2.72
Rot. Bonds3

About 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol

1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol (PubChem CID 84694066) has the molecular formula C11H15ClO3 and a molecular weight of 230.69 g/mol. Its IUPAC name is 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
PubChem CID84694066
Molecular FormulaC11H15ClO3
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol
SMILESCOc1c(Cl)cc(C(C)O)c(C)c1OC
InChIInChI=1S/C11H15ClO3/c1-6-8(7(2)13)5-9(12)11(15-4)10(6)14-3/h5,7,13H,1-4H3
InChIKeyWJLCEERWYVFLRI-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117400479
1-(3,5-dichloro-2-methoxyphenyl)ethanol
CID 82267021
1-(3-chloro-2-methoxy-5-propan-2-ylphenyl)ethanol
CID 84692296
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
4-chloro-2-(1-hydroxyethyl)-5-methoxyphenol
CID 117291182
2-(5-chloro-2,3-dimethoxy-4-methylphenyl)propan-1-ol
CID 117363900
1-(3,5-dichloro-4-methoxyphenyl)propane-1,2-diol
CID 85213872
1-[3-chloro-2-methoxy-5-(trifluoromethyl)phenyl]ethanol
CID 84708311
5-chloro-2-methoxy-6-methyl-3-propan-2-ylphenol
CID 84680663
3-(5-chloro-3,4-dimethoxy-2-methylphenyl)-3-cyclopropylpropanoic acid
CID 117481176
1-bromo-5-chloro-3,4-dimethoxy-2-methylbenzene
CID 84711440
1,5-dichloro-2,4-dimethoxy-3-methylbenzene
CID 58961638

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol?
The IUPAC name of 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol (CID 84694066) is 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol?
The canonical SMILES for 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol is COc1c(Cl)cc(C(C)O)c(C)c1OC.
What is the InChIKey of 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol?
The InChIKey is WJLCEERWYVFLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO3/c1-6-8(7(2)13)5-9(12)11(15-4)10(6)14-3/h5,7,13H,1-4H3.
What are the key properties of 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol?
1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol has a molecular weight of 230.69 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3,4-dimethoxy-2-methylphenyl)ethanol is sourced from PubChem (CID 84694066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).