3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol

C12H17ClO2 — CID 117329608

IUPAC3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
SMILESCCc1cc(CCCO)cc(Cl)c1OC
InChIInChI=1S/C12H17ClO2/c1-3-10-7-9(5-4-6-14)8-11(13)12(10)15-2/h7-8,14H,3-6H2,1-2H3
InChIKeyREDSNYOKDVNPGV-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.84
Rot. Bonds5

About 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol

3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol (PubChem CID 117329608) has the molecular formula C12H17ClO2 and a molecular weight of 228.72 g/mol. Its IUPAC name is 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
PubChem CID117329608
Molecular FormulaC12H17ClO2
Molecular Weight228.72 g/mol
Exact Mass228.09
IUPAC Name3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
SMILESCCc1cc(CCCO)cc(Cl)c1OC
InChIInChI=1S/C12H17ClO2/c1-3-10-7-9(5-4-6-14)8-11(13)12(10)15-2/h7-8,14H,3-6H2,1-2H3
InChIKeyREDSNYOKDVNPGV-UHFFFAOYSA-N
XLogP2.84
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
CID 117400675
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
1-(3-chloro-5-ethyl-4-methoxyphenyl)propan-2-amine;hydrochloride
CID 170894010
2-chloro-4-ethyl-6-(3-hydroxypropyl)phenol
CID 117305990
2-amino-2-(3-chloro-5-ethyl-4-methoxyphenyl)ethanol
CID 117331573
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
3-(3-chloro-5-methoxyphenyl)propan-1-ol
CID 117289609
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
CID 117379902
1-(3-chloro-5-ethyl-2-methoxyphenyl)-2-methylpropan-2-amine
CID 117356702
3-(3,5-dichloro-4-fluorophenyl)propan-1-ol
CID 117318967
2-[2-(3,5-dichloro-4-methoxyphenyl)ethyl]propane-1,3-diol
CID 83928638

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol (CID 117329608) is 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol is CCc1cc(CCCO)cc(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol?
The InChIKey is REDSNYOKDVNPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO2/c1-3-10-7-9(5-4-6-14)8-11(13)12(10)15-2/h7-8,14H,3-6H2,1-2H3.
What are the key properties of 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol?
3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol has a molecular weight of 228.72 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 117329608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).