3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol

C18H22O3 — CID 170887590

IUPAC3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
SMILESCCOc1cc(CCCO)ccc1OCc1ccccc1
InChIInChI=1S/C18H22O3/c1-2-20-18-13-15(9-6-12-19)10-11-17(18)21-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,2,6,9,12,14H2,1H3
InChIKeyPIWTURYAWPZUAH-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.59
Rot. Bonds8

About 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol

3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol (PubChem CID 170887590) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
PubChem CID170887590
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
SMILESCCOc1cc(CCCO)ccc1OCc1ccccc1
InChIInChI=1S/C18H22O3/c1-2-20-18-13-15(9-6-12-19)10-11-17(18)21-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,2,6,9,12,14H2,1H3
InChIKeyPIWTURYAWPZUAH-UHFFFAOYSA-N
XLogP3.59
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-ethoxy-4-phenylmethoxyphenyl)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

1-[3,4-bis(phenylmethoxy)phenyl]-6-hydroxyhexan-3-one
CID 157495437
2-[7-[3,4-bis(phenylmethoxy)phenyl]heptylamino]ethanol
CID 71609182
(4S)-4-amino-4-(3-ethoxy-4-phenylmethoxyphenyl)butan-1-ol;hydrochloride
CID 171230057
4-[3-(3-ethoxy-4-phenylmethoxyphenyl)propyl]morpholine
CID 170869843
4-[3,4-bis(3-phenylpropoxy)phenyl]butan-1-ol
CID 160796126
3-[2-(3,4-diethoxyphenyl)ethylamino]propan-1-ol
CID 82097746
N-[(3-ethoxy-4-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17291399
(3S)-3-amino-3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol
CID 171230054
2-(4-methyl-3-phenylmethoxyphenyl)ethanol
CID 117358003
(2S)-2-amino-2-(3-ethoxy-4-phenylmethoxyphenyl)ethanol
CID 66515702
3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-en-1-ol
CID 169454327
4-(3-methoxy-4-phenylmethoxyphenyl)butanoic acid
CID 117484134

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol?
The IUPAC name of 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol (CID 170887590) is 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol is CCOc1cc(CCCO)ccc1OCc1ccccc1.
What is the InChIKey of 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol?
The InChIKey is PIWTURYAWPZUAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-2-20-18-13-15(9-6-12-19)10-11-17(18)21-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,13,19H,2,6,9,12,14H2,1H3.
What are the key properties of 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol?
3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol has a molecular weight of 286.37 g/mol, XLogP of 3.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxy-4-phenylmethoxyphenyl)propan-1-ol is sourced from PubChem (CID 170887590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).