3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol

C13H19ClO3 — CID 117400675

IUPAC3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
SMILESCCc1cc(CCCO)c(OC)c(Cl)c1OC
InChIInChI=1S/C13H19ClO3/c1-4-9-8-10(6-5-7-15)13(17-3)11(14)12(9)16-2/h8,15H,4-7H2,1-3H3
InChIKeyXRXQNNIKBWHXMK-UHFFFAOYSA-N
MW258.74 g/mol
LogP2.84
Rot. Bonds6

About 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol

3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol (PubChem CID 117400675) has the molecular formula C13H19ClO3 and a molecular weight of 258.74 g/mol. Its IUPAC name is 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
PubChem CID117400675
Molecular FormulaC13H19ClO3
Molecular Weight258.74 g/mol
Exact Mass258.10
IUPAC Name3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol
SMILESCCc1cc(CCCO)c(OC)c(Cl)c1OC
InChIInChI=1S/C13H19ClO3/c1-4-9-8-10(6-5-7-15)13(17-3)11(14)12(9)16-2/h8,15H,4-7H2,1-3H3
InChIKeyXRXQNNIKBWHXMK-UHFFFAOYSA-N
XLogP2.84
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-5-ethyl-4-methoxyphenyl)propan-1-ol
CID 117329608
3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 117363636
3-(5-chloro-3-fluoro-2-methoxyphenyl)propan-1-ol
CID 117311678
3-(3-tert-butyl-5-ethyl-2-methoxyphenyl)propan-1-ol
CID 117379902
3-chloro-4-ethyl-2-(3-hydroxypropyl)-6-methoxyphenol
CID 117363864
3-chloro-1-ethyl-5-(isocyanatomethyl)-2,4-dimethoxybenzene
CID 117392169
3-(5-ethyl-4-fluoro-2-methoxyphenyl)propan-1-ol
CID 117303114
3-(6-chloro-2-ethyl-3,4-dimethoxyphenyl)propan-1-ol
CID 117400668
3-(2-chloro-5-methoxy-3-methylphenyl)propan-1-ol
CID 117305985
3-(5-tert-butyl-2-methoxy-3-methylphenyl)propan-1-ol
CID 21199608
3-(2-chloro-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117311669
4-(3-chloro-2,4-dimethoxy-5-methylphenyl)butan-1-amine
CID 117398141

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol (CID 117400675) is 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol is CCc1cc(CCCO)c(OC)c(Cl)c1OC.
What is the InChIKey of 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol?
The InChIKey is XRXQNNIKBWHXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClO3/c1-4-9-8-10(6-5-7-15)13(17-3)11(14)12(9)16-2/h8,15H,4-7H2,1-3H3.
What are the key properties of 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol?
3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol has a molecular weight of 258.74 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-5-ethyl-2,4-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 117400675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).