2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol

C15H22O4 — CID 117420074

IUPAC2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
SMILESCOc1cccc(C(C)CO)c1OC1CCOCC1
InChIInChI=1S/C15H22O4/c1-11(10-16)13-4-3-5-14(17-2)15(13)19-12-6-8-18-9-7-12/h3-5,11-12,16H,6-10H2,1-2H3
InChIKeySWWMIAOFMCWUJA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.35
Rot. Bonds5

About 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol

2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol (PubChem CID 117420074) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
PubChem CID117420074
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol
SMILESCOc1cccc(C(C)CO)c1OC1CCOCC1
InChIInChI=1S/C15H22O4/c1-11(10-16)13-4-3-5-14(17-2)15(13)19-12-6-8-18-9-7-12/h3-5,11-12,16H,6-10H2,1-2H3
InChIKeySWWMIAOFMCWUJA-UHFFFAOYSA-N
XLogP2.35
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]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

2-[3-methoxy-2-(1-methylpiperidin-4-yl)oxyphenyl]propan-1-ol
CID 117448321
2-amino-2-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 115005257
3-[3-methoxy-2-(oxolan-3-yloxy)phenyl]butan-1-amine
CID 117417553
1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
2-(2-cyclobutyloxy-3-methoxyphenyl)propan-1-amine
CID 117343383
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-2-amine
CID 117417903
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
3-methoxy-2-(oxan-4-yloxy)benzonitrile
CID 117338061
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]acetonitrile
CID 117370390
2-(2-cyclopropyloxy-5-fluoro-3-methoxyphenyl)propan-1-ol
CID 117353314
3-[3-methoxy-2-(thian-4-yloxy)phenyl]butanal
CID 117475105
2-amino-2-[2-methoxy-3-(oxan-4-yloxy)phenyl]acetic acid
CID 117451366

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol?
The IUPAC name of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol (CID 117420074) is 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol is COc1cccc(C(C)CO)c1OC1CCOCC1.
What is the InChIKey of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol?
The InChIKey is SWWMIAOFMCWUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-11(10-16)13-4-3-5-14(17-2)15(13)19-12-6-8-18-9-7-12/h3-5,11-12,16H,6-10H2,1-2H3.
What are the key properties of 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol?
2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(oxan-4-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117420074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).