1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol

C14H20O4 — CID 62606269

IUPAC1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
SMILESCOc1ccc(C(O)CC2CCCO2)cc1OC
InChIInChI=1S/C14H20O4/c1-16-13-6-5-10(8-14(13)17-2)12(15)9-11-4-3-7-18-11/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3
InChIKeyHRJXEBKVJLOQTF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.31
Rot. Bonds5

About 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol

1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol (PubChem CID 62606269) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
PubChem CID62606269
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol
SMILESCOc1ccc(C(O)CC2CCCO2)cc1OC
InChIInChI=1S/C14H20O4/c1-16-13-6-5-10(8-14(13)17-2)12(15)9-11-4-3-7-18-11/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3
InChIKeyHRJXEBKVJLOQTF-UHFFFAOYSA-N
XLogP2.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol 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-(4-methylphenyl)-2-(oxolan-2-yl)ethanol
CID 60797370
1-(3,4-dimethoxyphenyl)-4-(oxolan-2-yl)butan-1-amine
CID 65167177
(1R)-1-[3-methoxy-4-[3-(oxolan-2-yl)propoxy]phenyl]ethanol
CID 65162787
(1S)-1-[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]ethanol
CID 63364699
1-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)ethyl]ethanamine
CID 61039102
1-(3,4-dimethoxyphenyl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685577
1-(3-chloro-4-methylphenyl)-2-(oxan-2-yl)ethanol
CID 107560134
1-[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]ethanamine
CID 16790426
1-(3,4-dimethoxyphenyl)-2-morpholin-3-ylethanol
CID 81466199
2-(3,4-dimethoxyphenyl)-2-(oxolan-2-ylmethylamino)acetonitrile
CID 61006052
(3,4-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 62215348
1-[3-methoxy-4-(oxan-2-yloxy)phenyl]ethane-1,2-diol
CID 13252940

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol (CID 62606269) is 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol is COc1ccc(C(O)CC2CCCO2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol?
The InChIKey is HRJXEBKVJLOQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-16-13-6-5-10(8-14(13)17-2)12(15)9-11-4-3-7-18-11/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol?
1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol has a molecular weight of 252.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-(oxolan-2-yl)ethanol is sourced from PubChem (CID 62606269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).