3-(5-ethyl-2-methoxyphenyl)propan-1-ol

C12H18O2 — CID 94680036

IUPAC3-(5-ethyl-2-methoxyphenyl)propan-1-ol
SMILESCCc1ccc(OC)c(CCCO)c1
InChIInChI=1S/C12H18O2/c1-3-10-6-7-12(14-2)11(9-10)5-4-8-13/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyYPAZEIXIPIKGKC-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.18
Rot. Bonds5

About 3-(5-ethyl-2-methoxyphenyl)propan-1-ol

3-(5-ethyl-2-methoxyphenyl)propan-1-ol (PubChem CID 94680036) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-(5-ethyl-2-methoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-ethyl-2-methoxyphenyl)propan-1-ol
PubChem CID94680036
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-(5-ethyl-2-methoxyphenyl)propan-1-ol
SMILESCCc1ccc(OC)c(CCCO)c1
InChIInChI=1S/C12H18O2/c1-3-10-6-7-12(14-2)11(9-10)5-4-8-13/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyYPAZEIXIPIKGKC-UHFFFAOYSA-N
XLogP2.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-ethyl-2-methoxyphenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(3-ethyl-4-methoxyphenyl)ethylamino]butan-1-ol
CID 115217777
3-(5-ethyl-2-methoxyphenyl)propanoic acid
CID 82126594
6-(5-ethyl-2-methoxyphenyl)-2-methylhexan-3-amine
CID 83942665
4-(5-ethyl-2-methoxyphenyl)-N-methylbutanehydrazide
CID 116845108
2-amino-5-(5-ethyl-2-methoxyphenyl)pentanoic acid
CID 115005494
2-(bromomethyl)-4-ethyl-1-methoxybenzene
CID 116932379
N-ethyl-N'-[2-(5-ethyl-2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 115206001
3-(5-ethyl-2-methoxyphenyl)-2,2-dimethylpropan-1-ol
CID 94258956
2-[5-(3-ethylphenyl)-2-methoxyphenyl]ethanol
CID 142190980
methyl N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamate
CID 110788778
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
N-[2-(5-ethyl-2-methoxyphenyl)ethyl]carbamoyl chloride
CID 115194910

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-2-methoxyphenyl)propan-1-ol?
The IUPAC name of 3-(5-ethyl-2-methoxyphenyl)propan-1-ol (CID 94680036) is 3-(5-ethyl-2-methoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-ethyl-2-methoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(5-ethyl-2-methoxyphenyl)propan-1-ol is CCc1ccc(OC)c(CCCO)c1.
What is the InChIKey of 3-(5-ethyl-2-methoxyphenyl)propan-1-ol?
The InChIKey is YPAZEIXIPIKGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-10-6-7-12(14-2)11(9-10)5-4-8-13/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 3-(5-ethyl-2-methoxyphenyl)propan-1-ol?
3-(5-ethyl-2-methoxyphenyl)propan-1-ol has a molecular weight of 194.27 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-2-methoxyphenyl)propan-1-ol is sourced from PubChem (CID 94680036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).