1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol

C15H20O3 — CID 117374036

IUPAC1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccccc2OC2CCOCC2)CC1
InChIInChI=1S/C15H20O3/c16-15(7-8-15)11-12-3-1-2-4-14(12)18-13-5-9-17-10-6-13/h1-4,13,16H,5-11H2
InChIKeyYRBJEHNRRCVSQD-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.31
Rot. Bonds4

About 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol

1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol (PubChem CID 117374036) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol
PubChem CID117374036
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol
SMILESOC1(Cc2ccccc2OC2CCOCC2)CC1
InChIInChI=1S/C15H20O3/c16-15(7-8-15)11-12-3-1-2-4-14(12)18-13-5-9-17-10-6-13/h1-4,13,16H,5-11H2
InChIKeyYRBJEHNRRCVSQD-UHFFFAOYSA-N
XLogP2.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-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

1-[[2-(oxan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117374038
[2-(oxan-4-yloxy)phenyl]methanol
CID 22932192
2-[2-(oxolan-3-yloxy)phenyl]acetic acid
CID 80741380
1-[2-(oxolan-3-yloxy)phenyl]cyclopropan-1-ol
CID 117314326
1-[[3-chloro-4-(oxolan-3-yloxy)phenyl]methyl]cyclopropan-1-ol
CID 117425519
N-[[2-(oxolan-3-yloxy)phenyl]methyl]cyclopropanamine
CID 63558326
[1-[2-(oxan-4-yloxy)phenyl]cyclobutyl]methanamine
CID 117408023
2-amino-3-[2-(oxolan-3-yloxy)phenyl]propanoic acid
CID 115005094
1-methyl-4-[3-[2-(oxan-4-yloxy)phenyl]propyl]piperazine
CID 170863354
2-[2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79908190
4-(aminomethyl)-N-[(2-cyclobutyloxyphenyl)methyl]oxane-4-carboxamide;hydrochloride
CID 120934185
N-methyl-1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61287998

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol?
The IUPAC name of 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol (CID 117374036) is 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol is OC1(Cc2ccccc2OC2CCOCC2)CC1.
What is the InChIKey of 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol?
The InChIKey is YRBJEHNRRCVSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c16-15(7-8-15)11-12-3-1-2-4-14(12)18-13-5-9-17-10-6-13/h1-4,13,16H,5-11H2.
What are the key properties of 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol?
1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(oxan-4-yloxy)phenyl]methyl]cyclopropan-1-ol is sourced from PubChem (CID 117374036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).