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

C15H22O4 — CID 115005747

IUPAC1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
SMILESCOc1cccc(CC(C)O)c1OC1CCCOC1
InChIInChI=1S/C15H22O4/c1-11(16)9-12-5-3-7-14(17-2)15(12)19-13-6-4-8-18-10-13/h3,5,7,11,13,16H,4,6,8-10H2,1-2H3
InChIKeyCLWRRLWJGQMNEB-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.18
Rot. Bonds5

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

1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol (PubChem CID 115005747) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
PubChem CID115005747
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol
SMILESCOc1cccc(CC(C)O)c1OC1CCCOC1
InChIInChI=1S/C15H22O4/c1-11(16)9-12-5-3-7-14(17-2)15(12)19-13-6-4-8-18-10-13/h3,5,7,11,13,16H,4,6,8-10H2,1-2H3
InChIKeyCLWRRLWJGQMNEB-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-amine
CID 107137119
1-[2-methoxy-3-(oxolan-3-yloxy)phenyl]propan-2-ol
CID 115005698
[3-methoxy-2-(oxolan-3-yloxy)phenyl]methanol
CID 63558981
[2-methoxy-3-(oxan-3-yloxy)phenyl]methanol
CID 84700687
1-[3-methoxy-2-(oxolan-3-yloxy)phenyl]ethanol
CID 117349251
[1-[3-methoxy-2-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117444480
N-[[3-methyl-2-(oxan-3-yloxy)phenyl]methyl]propan-2-amine
CID 107134518
3-[2-methoxy-3-(oxan-3-yloxy)phenyl]propan-1-amine
CID 117417565
4-[2-methoxy-3-(oxan-3-yloxy)phenyl]butanoic acid
CID 117474860
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
(3R)-N-[(2,3-dimethoxyphenyl)methyl]oxan-3-amine
CID 95986911

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol?
The IUPAC name of 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol (CID 115005747) is 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol is COc1cccc(CC(C)O)c1OC1CCCOC1.
What is the InChIKey of 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol?
The InChIKey is CLWRRLWJGQMNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-11(16)9-12-5-3-7-14(17-2)15(12)19-13-6-4-8-18-10-13/h3,5,7,11,13,16H,4,6,8-10H2,1-2H3.
What are the key properties of 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol?
1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol has a molecular weight of 266.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-2-(oxan-3-yloxy)phenyl]propan-2-ol is sourced from PubChem (CID 115005747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).