1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol

C14H22O4 — CID 62789961

IUPAC1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
SMILESCCOc1ccc(C(O)CCOC)cc1OCC
InChIInChI=1S/C14H22O4/c1-4-17-13-7-6-11(10-14(13)18-5-2)12(15)8-9-16-3/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyKLQDZBWREDKXON-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.55
Rot. Bonds8

About 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol

1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol (PubChem CID 62789961) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
PubChem CID62789961
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
SMILESCCOc1ccc(C(O)CCOC)cc1OCC
InChIInChI=1S/C14H22O4/c1-4-17-13-7-6-11(10-14(13)18-5-2)12(15)8-9-16-3/h6-7,10,12,15H,4-5,8-9H2,1-3H3
InChIKeyKLQDZBWREDKXON-UHFFFAOYSA-N
XLogP2.55
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-diethoxyphenyl)-3-methoxypropan-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

(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953
1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol
CID 82073673
3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82073670
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094403
1-(3-butoxy-4-methoxyphenyl)butan-1-ol
CID 83951524
1-(3-ethoxy-4-methoxyphenyl)ethanol
CID 59391643

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol (CID 62789961) is 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol is CCOc1ccc(C(O)CCOC)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol?
The InChIKey is KLQDZBWREDKXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-4-17-13-7-6-11(10-14(13)18-5-2)12(15)8-9-16-3/h6-7,10,12,15H,4-5,8-9H2,1-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol?
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol is sourced from PubChem (CID 62789961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).