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

C11H15ClO2 — CID 117305990

IUPAC2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
SMILESCCc1cc(Cl)c(O)c(CCCO)c1
InChIInChI=1S/C11H15ClO2/c1-2-8-6-9(4-3-5-13)11(14)10(12)7-8/h6-7,13-14H,2-5H2,1H3
InChIKeyULJDBRLZGSAPKL-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.53
Rot. Bonds4

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

2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol (PubChem CID 117305990) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
PubChem CID117305990
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
SMILESCCc1cc(Cl)c(O)c(CCCO)c1
InChIInChI=1S/C11H15ClO2/c1-2-8-6-9(4-3-5-13)11(14)10(12)7-8/h6-7,13-14H,2-5H2,1H3
InChIKeyULJDBRLZGSAPKL-UHFFFAOYSA-N
XLogP2.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-6-chloro-4-ethylphenol;hydrochloride
CID 45259762
3-chloro-5-ethylbenzene-1,2-diol
CID 84654490
2-butyl-4-ethyl-6-propylphenol
CID 66988794
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
4-ethyl-2,6-dipropylphenol
CID 66879596
3-(3-chloro-5-ethyl-2-hydroxyphenyl)-2,2-dimethylpropanoic acid
CID 117395228
2-chloro-4-ethyl-6-(piperidin-4-ylmethyl)phenol
CID 117387726
3-[3-chloro-2-fluoro-5-(methoxymethyl)phenyl]propan-1-ol
CID 117337281
2,4,6-tributylphenol;zirconium(2+);dichloride
CID 174692892
3-(5-ethyl-2-methoxyphenyl)propan-1-ol
CID 94680036
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
CID 117379902
3-[2-chloro-4-(fluoromethyl)phenyl]propan-1-ol
CID 117291231

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol?
The IUPAC name of 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol (CID 117305990) is 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol.
What is the SMILES notation for 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol?
The canonical SMILES for 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol is CCc1cc(Cl)c(O)c(CCCO)c1.
What is the InChIKey of 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol?
The InChIKey is ULJDBRLZGSAPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-2-8-6-9(4-3-5-13)11(14)10(12)7-8/h6-7,13-14H,2-5H2,1H3.
What are the key properties of 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol?
2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol has a molecular weight of 214.69 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol is sourced from PubChem (CID 117305990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).