2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone

C12H14O4 — CID 66570582

IUPAC2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2OCCO2)cc1
InChIInChI=1S/C12H14O4/c1-14-10-4-2-9(3-5-10)11(13)8-12-15-6-7-16-12/h2-5,12H,6-8H2,1H3
InChIKeyJHGMJQJHLOMJGE-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.64
Rot. Bonds4

About 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone

2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone (PubChem CID 66570582) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
PubChem CID66570582
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CC2OCCO2)cc1
InChIInChI=1S/C12H14O4/c1-14-10-4-2-9(3-5-10)11(13)8-12-15-6-7-16-12/h2-5,12H,6-8H2,1H3
InChIKeyJHGMJQJHLOMJGE-UHFFFAOYSA-N
XLogP1.64
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(Z)-3-amino-4-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)but-2-en-1-one
CID 101175752
2-(1,3-dioxolan-2-yl)-1-(4-propylphenyl)ethanone
CID 66570608
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
(4-methoxyphenyl)-(oxan-2-yl)methanone
CID 62212790
2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopentan-1-one
CID 14381769
1-(4-methoxyphenyl)-2-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-1-methylpiperidin-2-yl]ethanone;hydrochloride
CID 45048917
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-(4-methoxyphenyl)-2-[(2S,6R)-6-(nitromethyl)oxan-2-yl]ethanone
CID 102440764
1-(4-methoxyphenyl)-2-(oxan-4-ylsulfonyl)ethanone
CID 64636979
2-(1,3-dioxolan-2-yl)-1-(3-methylphenyl)ethanone
CID 66570584
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone (CID 66570582) is 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CC2OCCO2)cc1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone?
The InChIKey is JHGMJQJHLOMJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-14-10-4-2-9(3-5-10)11(13)8-12-15-6-7-16-12/h2-5,12H,6-8H2,1H3.
What are the key properties of 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone?
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone has a molecular weight of 222.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 66570582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).