3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol

C12H17ClO3 — CID 117363864

IUPAC3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(CCCO)c1Cl
InChIInChI=1S/C12H17ClO3/c1-3-8-7-10(16-2)12(15)9(11(8)13)5-4-6-14/h7,14-15H,3-6H2,1-2H3
InChIKeyRYOUIYYTXJIEPV-UHFFFAOYSA-N
MW244.72 g/mol
LogP2.54
Rot. Bonds5

About 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol

3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol (PubChem CID 117363864) has the molecular formula C12H17ClO3 and a molecular weight of 244.72 g/mol. Its IUPAC name is 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol.

Molecular Properties

Compound Name3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
PubChem CID117363864
Molecular FormulaC12H17ClO3
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
SMILESCCc1cc(OC)c(O)c(CCCO)c1Cl
InChIInChI=1S/C12H17ClO3/c1-3-8-7-10(16-2)12(15)9(11(8)13)5-4-6-14/h7,14-15H,3-6H2,1-2H3
InChIKeyRYOUIYYTXJIEPV-UHFFFAOYSA-N
XLogP2.54
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-(hydroxymethyl)-4-(3-hydroxypropyl)-6-methoxyphenol
CID 72942691
2-(3-hydroxypropyl)-6-methoxy-3,4-dimethylphenol
CID 117300572
3-bromo-4-ethyl-2-(hydroxymethyl)-6-methoxyphenol
CID 84710429
5-chloro-4-(3-hydroxypropyl)-2-methoxyphenol
CID 117308657
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117400675
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
4-(2-chloro-3-fluoro-6-hydroxy-5-methoxyphenyl)butanoic acid
CID 117411352
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
3-(2-chloro-3-methoxy-6-methylphenyl)propan-1-ol
CID 117305992
2-(5-chloro-2-ethyl-4-methoxyphenyl)ethanol
CID 117306101
2-(3-chloro-2-ethyl-4,5-dimethoxyphenyl)ethanol
CID 117363854

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol?
The IUPAC name of 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol (CID 117363864) is 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol.
What is the SMILES notation for 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol?
The canonical SMILES for 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol is CCc1cc(OC)c(O)c(CCCO)c1Cl.
What is the InChIKey of 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol?
The InChIKey is RYOUIYYTXJIEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO3/c1-3-8-7-10(16-2)12(15)9(11(8)13)5-4-6-14/h7,14-15H,3-6H2,1-2H3.
What are the key properties of 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol?
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol has a molecular weight of 244.72 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol is sourced from PubChem (CID 117363864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).