[2-(3-methylphenyl)oxetan-2-yl]methanol

C11H14O2 — CID 117258789

IUPAC[2-(3-methylphenyl)oxetan-2-yl]methanol
SMILESCc1cccc(C2(CO)CCO2)c1
InChIInChI=1S/C11H14O2/c1-9-3-2-4-10(7-9)11(8-12)5-6-13-11/h2-4,7,12H,5-6,8H2,1H3
InChIKeyDTAZGEPZLLKOMG-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.60
Rot. Bonds2

About [2-(3-methylphenyl)oxetan-2-yl]methanol

[2-(3-methylphenyl)oxetan-2-yl]methanol (PubChem CID 117258789) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is [2-(3-methylphenyl)oxetan-2-yl]methanol.

Molecular Properties

Compound Name[2-(3-methylphenyl)oxetan-2-yl]methanol
PubChem CID117258789
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name[2-(3-methylphenyl)oxetan-2-yl]methanol
SMILESCc1cccc(C2(CO)CCO2)c1
InChIInChI=1S/C11H14O2/c1-9-3-2-4-10(7-9)11(8-12)5-6-13-11/h2-4,7,12H,5-6,8H2,1H3
InChIKeyDTAZGEPZLLKOMG-UHFFFAOYSA-N
XLogP1.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-methylphenyl)cyclopropyl]methanol
CID 55253193
4-ethyl-4-(3-methylphenyl)oxane
CID 143442460
3-(3-methylphenyl)oxolan-3-ol
CID 63331929
ethane;4-ethyl-4-(3-methylphenyl)oxane
CID 143442459
(4R)-4-(iodomethyl)-4-(3-methylphenyl)-1,3-dioxan-2-one
CID 122380107
[2-(4-methoxyphenyl)oxetan-2-yl]methanol
CID 117258820
2-methyl-2-(3-methylphenyl)oxirane
CID 62774936
3a-butyl-6a-(3-methylphenyl)-2,3,4,5-tetrahydrofuro[2,3-b]furan
CID 67978634
N-methyl-1-[4-(3-methylphenyl)oxan-4-yl]methanamine
CID 62596266
ethane;2-[1-(3-methylphenyl)cyclopropyl]acetic acid
CID 170751280
2-methyl-N-[[4-(3-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62594988
(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-(3-methylphenyl)prop-2-enamide
CID 104630400

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylphenyl)oxetan-2-yl]methanol?
The IUPAC name of [2-(3-methylphenyl)oxetan-2-yl]methanol (CID 117258789) is [2-(3-methylphenyl)oxetan-2-yl]methanol.
What is the SMILES notation for [2-(3-methylphenyl)oxetan-2-yl]methanol?
The canonical SMILES for [2-(3-methylphenyl)oxetan-2-yl]methanol is Cc1cccc(C2(CO)CCO2)c1.
What is the InChIKey of [2-(3-methylphenyl)oxetan-2-yl]methanol?
The InChIKey is DTAZGEPZLLKOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-9-3-2-4-10(7-9)11(8-12)5-6-13-11/h2-4,7,12H,5-6,8H2,1H3.
What are the key properties of [2-(3-methylphenyl)oxetan-2-yl]methanol?
[2-(3-methylphenyl)oxetan-2-yl]methanol has a molecular weight of 178.23 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylphenyl)oxetan-2-yl]methanol is sourced from PubChem (CID 117258789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).