[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol

C13H18O3 — CID 116930338

IUPAC[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
SMILESCCOc1ccc(CC2(CO)COC2)cc1
InChIInChI=1S/C13H18O3/c1-2-16-12-5-3-11(4-6-12)7-13(8-14)9-15-10-13/h3-6,14H,2,7-10H2,1H3
InChIKeyQBWMOIXRYWUNNA-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.64
Rot. Bonds5

About [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol

[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol (PubChem CID 116930338) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
PubChem CID116930338
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol
SMILESCCOc1ccc(CC2(CO)COC2)cc1
InChIInChI=1S/C13H18O3/c1-2-16-12-5-3-11(4-6-12)7-13(8-14)9-15-10-13/h3-6,14H,2,7-10H2,1H3
InChIKeyQBWMOIXRYWUNNA-UHFFFAOYSA-N
XLogP1.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol 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-[(4-ethoxyphenyl)methyl]cyclopropyl]methanol
CID 116928851
3-ethyl-3-[[4-[(3-ethyloxetan-3-yl)methyl]phenyl]methyl]oxetane
CID 139997866
(4-ethoxyphenyl)-[3-(hydroxymethyl)oxetan-3-yl]methanone
CID 116922574
methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
CID 71854632
1-[1-[(4-ethoxyphenyl)methyl]cyclobutyl]-N-methylmethanamine
CID 116929393
[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]cyclopropyl]methanol
CID 115243547
3-ethyl-3-[[4-[4-[(3-ethyloxetan-3-yl)methyl]phenyl]phenyl]methyl]oxetane
CID 130476683
CID 142556210
CID 142556210
[3-[(4-ethoxyphenyl)-(methylamino)methyl]oxetan-3-yl]methanol
CID 116959480
[1-[[2-(4-ethoxyphenyl)ethyl-methylamino]methyl]cyclopropyl]methanol
CID 115243738
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 59767606

Frequently Asked Questions

What is the IUPAC name of [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol (CID 116930338) is [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol is CCOc1ccc(CC2(CO)COC2)cc1.
What is the InChIKey of [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol?
The InChIKey is QBWMOIXRYWUNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-2-16-12-5-3-11(4-6-12)7-13(8-14)9-15-10-13/h3-6,14H,2,7-10H2,1H3.
What are the key properties of [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol?
[3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol has a molecular weight of 222.28 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-ethoxyphenyl)methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 116930338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).