1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone

C14H18O3 — CID 54977204

IUPAC1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone
SMILESCc1cccc(C(=O)COCC2CCOC2)c1
InChIInChI=1S/C14H18O3/c1-11-3-2-4-13(7-11)14(15)10-17-9-12-5-6-16-8-12/h2-4,7,12H,5-6,8-10H2,1H3
InChIKeyUHZKODWEVBQTTR-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.23
Rot. Bonds5

About 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone

1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone (PubChem CID 54977204) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone
PubChem CID54977204
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone
SMILESCc1cccc(C(=O)COCC2CCOC2)c1
InChIInChI=1S/C14H18O3/c1-11-3-2-4-13(7-11)14(15)10-17-9-12-5-6-16-8-12/h2-4,7,12H,5-6,8-10H2,1H3
InChIKeyUHZKODWEVBQTTR-UHFFFAOYSA-N
XLogP2.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54976813
1-(3,4-difluorophenyl)-2-(oxolan-3-ylmethoxy)ethanone
CID 54977402
1-(2,5-dimethylphenyl)-2-(oxan-4-ylmethoxy)ethanone
CID 62382456
3-[methyl(oxolan-3-yl)amino]-1-(3-methylphenyl)propan-1-one
CID 82744004
2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
CID 66570584
N-(3-chloro-4-methylphenyl)-2-[[(3R)-oxolan-3-yl]methoxy]acetamide
CID 95346415
5-methyl-2-(oxolan-3-ylmethoxy)benzoic acid
CID 61379905
[5-methyl-2-(oxolan-3-ylmethoxy)phenyl]methanol
CID 54595110
2-(oxolan-3-yl)-1-phenylethanone
CID 71757170
3-amino-N-[3-(oxolan-3-ylmethoxy)propyl]benzamide;hydrochloride
CID 119800059
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
4-methyl-3-(oxolan-3-ylmethoxy)benzoic acid
CID 61379995

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone?
The IUPAC name of 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone (CID 54977204) is 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone.
What is the SMILES notation for 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone?
The canonical SMILES for 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone is Cc1cccc(C(=O)COCC2CCOC2)c1.
What is the InChIKey of 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone?
The InChIKey is UHZKODWEVBQTTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-11-3-2-4-13(7-11)14(15)10-17-9-12-5-6-16-8-12/h2-4,7,12H,5-6,8-10H2,1H3.
What are the key properties of 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone?
1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone has a molecular weight of 234.30 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2-(oxolan-3-ylmethoxy)ethanone is sourced from PubChem (CID 54977204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).