2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol

C12H17ClO3 — CID 117363854

IUPAC2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
SMILESCCc1c(CCO)cc(OC)c(OC)c1Cl
InChIInChI=1S/C12H17ClO3/c1-4-9-8(5-6-14)7-10(15-2)12(16-3)11(9)13/h7,14H,4-6H2,1-3H3
InChIKeyXPNSIFURMYRGRG-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.45
Rot. Bonds5

About 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol

2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol (PubChem CID 117363854) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
PubChem CID117363854
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
SMILESCCc1c(CCO)cc(OC)c(OC)c1Cl
InChIInChI=1S/C12H17ClO3/c1-4-9-8(5-6-14)7-10(15-2)12(16-3)11(9)13/h7,14H,4-6H2,1-3H3
InChIKeyXPNSIFURMYRGRG-UHFFFAOYSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-2-ethyl-4,5-dimethoxyphenyl)methanesulfonyl chloride
CID 117498210
2-(5-chloro-2-ethyl-4-methoxyphenyl)ethanol
CID 117306101
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
1,2-diethyl-3,4,5-trimethoxybenzene
CID 123966014
[2-(hydroxymethyl)-3,4,5-trimethoxyphenyl]methanol
CID 71399833
1-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)-2-(methylamino)ethanone
CID 117432208
5-chloro-2-(2-hydroxyethyl)-4-methoxyphenol
CID 117291172
2-(3-chloro-2,4,5-trimethoxyphenyl)acetic acid
CID 117406003
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
2-(3-bromo-2-fluoro-4,5-dimethoxyphenyl)ethanol
CID 117447344
1,3-dichloro-2-ethyl-4,5,6-trimethoxybenzene
CID 134197646
2-(2-chloro-3,4,6-trimethoxyphenyl)-N-methylethanamine
CID 117403574

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol (CID 117363854) is 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol is CCc1c(CCO)cc(OC)c(OC)c1Cl.
What is the InChIKey of 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol?
The InChIKey is XPNSIFURMYRGRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-4-9-8(5-6-14)7-10(15-2)12(16-3)11(9)13/h7,14H,4-6H2,1-3H3.
What are the key properties of 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol?
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol has a molecular weight of 244.72 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 117363854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).