4-methyl-1,3-dioxolan-2-one;phthalic acid

C12H12O7 — CID 160550457

IUPAC4-methyl-1,3-dioxolan-2-one;phthalic acid
SMILESCC1COC(=O)O1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C4H6O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-2-6-4(5)7-3/h1-4H,(H,9,10)(H,11,12);3H,2H2,1H3
InChIKeyQXZMTDQINLTPAX-UHFFFAOYSA-N
MW268.22 g/mol
LogP1.62
Rot. Bonds2

About 4-methyl-1,3-dioxolan-2-one;phthalic acid

4-methyl-1,3-dioxolan-2-one;phthalic acid (PubChem CID 160550457) has the molecular formula C12H12O7 and a molecular weight of 268.22 g/mol. Its IUPAC name is 4-methyl-1,3-dioxolan-2-one;phthalic acid.

Molecular Properties

Compound Name4-methyl-1,3-dioxolan-2-one;phthalic acid
PubChem CID160550457
Molecular FormulaC12H12O7
Molecular Weight268.22 g/mol
Exact Mass268.06
IUPAC Name4-methyl-1,3-dioxolan-2-one;phthalic acid
SMILESCC1COC(=O)O1.O=C(O)c1ccccc1C(=O)O
InChIInChI=1S/C8H6O4.C4H6O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-2-6-4(5)7-3/h1-4H,(H,9,10)(H,11,12);3H,2H2,1H3
InChIKeyQXZMTDQINLTPAX-UHFFFAOYSA-N
XLogP1.62
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1,3-dioxolan-2-one;oxalic acid
CID 159173945
4-methyl-3,4-dihydro-2,5-benzodioxocine-1,6-dione;4-methyl-1,3-dioxolan-2-one
CID 175599646
4-methyl-1,3-dioxolan-2-one;2-methylprop-2-enoic acid
CID 68522550
4-ethenyl-1,3-dioxolan-2-one;2-methylbenzene-1,3-dicarboxylic acid
CID 174813314
CID 174469049
CID 174469049
4-methyl-1,3-dioxolan-2-one;oxolane
CID 21280178
hydroxy(trimethyl)silane;phthalic acid
CID 175037657
1-(1-hydroxyethylsulfanyl)ethanol;4-methyl-1,3-dioxolan-2-one
CID 174868758
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
benzene-1,2,4-tricarboxylic acid;butanedioic acid;hexanedioic acid;4-methyl-3,4-dihydro-2,5-benzodioxocine-1,6-dione
CID 70426447

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dioxolan-2-one;phthalic acid?
The IUPAC name of 4-methyl-1,3-dioxolan-2-one;phthalic acid (CID 160550457) is 4-methyl-1,3-dioxolan-2-one;phthalic acid.
What is the SMILES notation for 4-methyl-1,3-dioxolan-2-one;phthalic acid?
The canonical SMILES for 4-methyl-1,3-dioxolan-2-one;phthalic acid is CC1COC(=O)O1.O=C(O)c1ccccc1C(=O)O.
What is the InChIKey of 4-methyl-1,3-dioxolan-2-one;phthalic acid?
The InChIKey is QXZMTDQINLTPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C4H6O3/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-3-2-6-4(5)7-3/h1-4H,(H,9,10)(H,11,12);3H,2H2,1H3.
What are the key properties of 4-methyl-1,3-dioxolan-2-one;phthalic acid?
4-methyl-1,3-dioxolan-2-one;phthalic acid has a molecular weight of 268.22 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dioxolan-2-one;phthalic acid is sourced from PubChem (CID 160550457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).