1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol

C14H20O3 — CID 107135051

IUPAC1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
SMILESCc1ccc(OC2CCCOC2)c(C(C)O)c1
InChIInChI=1S/C14H20O3/c1-10-5-6-14(13(8-10)11(2)15)17-12-4-3-7-16-9-12/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3
InChIKeyMPMKFXALQZOEKX-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.61
Rot. Bonds3

About 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol

1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol (PubChem CID 107135051) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol.

Molecular Properties

Compound Name1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
PubChem CID107135051
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol
SMILESCc1ccc(OC2CCCOC2)c(C(C)O)c1
InChIInChI=1S/C14H20O3/c1-10-5-6-14(13(8-10)11(2)15)17-12-4-3-7-16-9-12/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3
InChIKeyMPMKFXALQZOEKX-UHFFFAOYSA-N
XLogP2.61
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol 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

(1R)-1-[4-methyl-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135084
(1R)-1-[5-methyl-2-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanol
CID 79893699
(1R)-1-[5-methyl-2-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanol
CID 79899388
1-[5-methyl-2-(oxolan-3-yloxy)phenyl]ethanamine
CID 63557142
1-[4-bromo-2-(oxan-3-yloxy)phenyl]ethanol
CID 107135111
(1R)-1-[3-methoxy-4-(oxan-3-yloxy)phenyl]ethanol
CID 107135071
1-[2-(oxolan-3-yloxy)phenyl]ethanol
CID 63558983
1-(2-cyclopentyloxy-4-methylphenyl)ethanol
CID 63650282
1-[4-methyl-2-(oxan-4-yloxy)phenyl]ethanol
CID 63935425
(1S)-1-(2-cycloheptyloxy-4-methylphenyl)ethanol
CID 82928224
(1S)-1-[2-(oxan-3-yloxy)phenyl]propan-1-ol
CID 107135067
1-[5-methyl-2-(oxan-3-yloxy)phenyl]piperidin-4-amine
CID 107137312

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol?
The IUPAC name of 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol (CID 107135051) is 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol.
What is the SMILES notation for 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol?
The canonical SMILES for 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol is Cc1ccc(OC2CCCOC2)c(C(C)O)c1.
What is the InChIKey of 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol?
The InChIKey is MPMKFXALQZOEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-10-5-6-14(13(8-10)11(2)15)17-12-4-3-7-16-9-12/h5-6,8,11-12,15H,3-4,7,9H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol?
1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol has a molecular weight of 236.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(oxan-3-yloxy)phenyl]ethanol is sourced from PubChem (CID 107135051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).