ethane;4-methoxycarbonylphthalic acid

C14H20O6 — CID 143938031

IUPACethane;4-methoxycarbonylphthalic acid
SMILESCC.CC.COC(=O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C10H8O6.2C2H6/c1-16-10(15)5-2-3-6(8(11)12)7(4-5)9(13)14;2*1-2/h2-4H,1H3,(H,11,12)(H,13,14);2*1-2H3
InChIKeySAGWRDUHUZZPJP-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.92
Rot. Bonds3

About ethane;4-methoxycarbonylphthalic acid

ethane;4-methoxycarbonylphthalic acid (PubChem CID 143938031) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is ethane;4-methoxycarbonylphthalic acid.

Molecular Properties

Compound Nameethane;4-methoxycarbonylphthalic acid
PubChem CID143938031
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Nameethane;4-methoxycarbonylphthalic acid
SMILESCC.CC.COC(=O)c1ccc(C(=O)O)c(C(=O)O)c1
InChIInChI=1S/C10H8O6.2C2H6/c1-16-10(15)5-2-3-6(8(11)12)7(4-5)9(13)14;2*1-2/h2-4H,1H3,(H,11,12)(H,13,14);2*1-2H3
InChIKeySAGWRDUHUZZPJP-UHFFFAOYSA-N
XLogP2.92
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-4-methoxycarbonylbenzoic acid
CID 131862461
dimethyl 2-methylbenzene-1,4-dicarboxylate;ethane
CID 143252882
4-[4-[4-(3,4-dicarboxybenzoyl)oxyphenyl]phenoxy]carbonylphthalic acid;ethane
CID 163623583
dimethyl 4-acetylbenzene-1,3-dicarboxylate
CID 69333095
dimethyl 4-hydroxybenzene-1,3-dicarboxylate;ethane
CID 143860036
4-carbonochloridoylphthalic acid
CID 15105982
2-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]benzoic acid
CID 7209741
2-methoxycarbonyl-4-(4-methoxycarbonylphenyl)sulfanylbenzoic acid
CID 91878764
5-methoxycarbonyl-2-pyrrolidin-1-ylbenzoic acid
CID 168515414
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
4-(4-carboxy-3-ethoxycarbonylbenzoyl)-2-methoxycarbonylbenzoic acid
CID 54450854
2-methoxycarbonyl-5-(phenylcarbamoyl)benzoic acid
CID 59023663

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxycarbonylphthalic acid?
The IUPAC name of ethane;4-methoxycarbonylphthalic acid (CID 143938031) is ethane;4-methoxycarbonylphthalic acid.
What is the SMILES notation for ethane;4-methoxycarbonylphthalic acid?
The canonical SMILES for ethane;4-methoxycarbonylphthalic acid is CC.CC.COC(=O)c1ccc(C(=O)O)c(C(=O)O)c1.
What is the InChIKey of ethane;4-methoxycarbonylphthalic acid?
The InChIKey is SAGWRDUHUZZPJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O6.2C2H6/c1-16-10(15)5-2-3-6(8(11)12)7(4-5)9(13)14;2*1-2/h2-4H,1H3,(H,11,12)(H,13,14);2*1-2H3.
What are the key properties of ethane;4-methoxycarbonylphthalic acid?
ethane;4-methoxycarbonylphthalic acid has a molecular weight of 284.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxycarbonylphthalic acid is sourced from PubChem (CID 143938031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).