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

C15H22O4 — CID 117420008

IUPAC3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
SMILESCOc1cc(CCCO)ccc1OC1CCOCC1
InChIInChI=1S/C15H22O4/c1-17-15-11-12(3-2-8-16)4-5-14(15)19-13-6-9-18-10-7-13/h4-5,11,13,16H,2-3,6-10H2,1H3
InChIKeyBASXBVRPYOOPTA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.18
Rot. Bonds6

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

3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol (PubChem CID 117420008) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
PubChem CID117420008
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
SMILESCOc1cc(CCCO)ccc1OC1CCOCC1
InChIInChI=1S/C15H22O4/c1-17-15-11-12(3-2-8-16)4-5-14(15)19-13-6-9-18-10-7-13/h4-5,11,13,16H,2-3,6-10H2,1H3
InChIKeyBASXBVRPYOOPTA-UHFFFAOYSA-N
XLogP2.18
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methoxy-4-(oxolan-3-yloxy)phenyl]propan-1-amine
CID 115005123
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
2-[3-methoxy-4-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005119
4-[4-methoxy-3-(oxolan-3-yloxy)phenyl]butanoic acid
CID 117449997
3-[4-methoxy-3-(1-methylpiperidin-3-yl)oxyphenyl]propan-1-ol
CID 117448362
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
CID 117415265
3-[4-methoxy-3-(oxan-4-yloxy)phenyl]-2-methylpropanoic acid
CID 117474871
[3-methoxy-4-(thian-4-yloxy)phenyl]methanol
CID 117389372
2-[4-methoxy-3-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 115005118
N-[[4-methoxy-3-(oxan-4-yloxy)phenyl]methyl]propan-1-amine
CID 63934986

Frequently Asked Questions

What is the IUPAC name of 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol?
The IUPAC name of 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol (CID 117420008) is 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol is COc1cc(CCCO)ccc1OC1CCOCC1.
What is the InChIKey of 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol?
The InChIKey is BASXBVRPYOOPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-17-15-11-12(3-2-8-16)4-5-14(15)19-13-6-9-18-10-7-13/h4-5,11,13,16H,2-3,6-10H2,1H3.
What are the key properties of 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol?
3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol has a molecular weight of 266.34 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol is sourced from PubChem (CID 117420008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).