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

C15H20O4 — CID 117415265

IUPAC1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
SMILESCOc1cc(C2(O)CC2)ccc1OC1CCOCC1
InChIInChI=1S/C15H20O4/c1-17-14-10-11(15(16)6-7-15)2-3-13(14)19-12-4-8-18-9-5-12/h2-3,10,12,16H,4-9H2,1H3
InChIKeyYJIREDHXXYNWCJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.23
Rot. Bonds4

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

1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol (PubChem CID 117415265) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
PubChem CID117415265
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol
SMILESCOc1cc(C2(O)CC2)ccc1OC1CCOCC1
InChIInChI=1S/C15H20O4/c1-17-14-10-11(15(16)6-7-15)2-3-13(14)19-12-4-8-18-9-5-12/h2-3,10,12,16H,4-9H2,1H3
InChIKeyYJIREDHXXYNWCJ-UHFFFAOYSA-N
XLogP2.23
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-methoxy-4-(thietan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117384320
1-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]cyclopropan-1-ol
CID 117444399
3-methoxy-4-(oxan-4-yloxy)benzoic acid
CID 63935592
1-[3-(1,1-dioxothietan-3-yl)oxy-4-methoxyphenyl]cyclopropan-1-ol
CID 117457854
3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propan-1-ol
CID 117420008
1-[3-methoxy-4-(oxan-3-yloxy)phenyl]cyclopentan-1-amine
CID 117470745
4-cyclopropyloxy-3-methoxyphenol
CID 84657279
1-(3,4-dimethoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756534
3-amino-2-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117475989
3-amino-3-[3-methoxy-4-(oxan-4-yloxy)phenyl]propanoic acid
CID 117476009
1-(4-cyclopropyloxy-3-methoxyphenyl)cyclobutane-1-carboxylic acid
CID 117410191
1-(3,4-dimethoxyphenyl)-3-methoxycyclobutan-1-ol
CID 106823852

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol (CID 117415265) is 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol is COc1cc(C2(O)CC2)ccc1OC1CCOCC1.
What is the InChIKey of 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol?
The InChIKey is YJIREDHXXYNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-14-10-11(15(16)6-7-15)2-3-13(14)19-12-4-8-18-9-5-12/h2-3,10,12,16H,4-9H2,1H3.
What are the key properties of 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol?
1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol has a molecular weight of 264.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(oxan-4-yloxy)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117415265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).