2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone

C12H14O3 — CID 66570584

IUPAC2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CC2OCCO2)c1
InChIInChI=1S/C12H14O3/c1-9-3-2-4-10(7-9)11(13)8-12-14-5-6-15-12/h2-4,7,12H,5-6,8H2,1H3
InChIKeyMFHVHANONQNXFY-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.94
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone

2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone (PubChem CID 66570584) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
PubChem CID66570584
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
SMILESCc1cccc(C(=O)CC2OCCO2)c1
InChIInChI=1S/C12H14O3/c1-9-3-2-4-10(7-9)11(13)8-12-14-5-6-15-12/h2-4,7,12H,5-6,8H2,1H3
InChIKeyMFHVHANONQNXFY-UHFFFAOYSA-N
XLogP1.94
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-dioxolan-2-yl)-1-(3-ethylphenyl)ethanone
CID 103543782
1-(3-methylphenyl)-3-(oxolan-2-yl)propan-1-one
CID 65167153
1-(3-methylphenyl)butan-1-one
CID 4304992
4-[2-(3-methylphenyl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 24722573
(3-methylphenyl)-(oxan-2-yl)methanone
CID 114962654
cis-(1S,2R)-2-[2-(3-methylphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 91654759
2-[2-(3-methylphenyl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 53411627
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3-methylphenyl)butane-1,4-dione
CID 90354493
1-(3-methylphenyl)-3-sulfanylpropan-1-one
CID 116830819
1-(4-bromophenyl)-2-(1,3-dioxolan-2-yl)ethanone
CID 66570596
4-(3-methylphenyl)-4-oxobutanoic acid
CID 2760002
2-[(1S)-2-(3-methylbenzoyl)cyclohex-2-en-1-yl]-1-(3-methylphenyl)ethanone
CID 122385088

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone (CID 66570584) is 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone is Cc1cccc(C(=O)CC2OCCO2)c1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone?
The InChIKey is MFHVHANONQNXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O3/c1-9-3-2-4-10(7-9)11(13)8-12-14-5-6-15-12/h2-4,7,12H,5-6,8H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone has a molecular weight of 206.24 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone is sourced from PubChem (CID 66570584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).