4-prop-2-enoxycarbonylbenzoic acid

C11H10O4 — CID 18349855

IUPAC4-prop-2-enoxycarbonylbenzoic acid
SMILESC=CCOC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10O4/c1-2-7-15-11(14)9-5-3-8(4-6-9)10(12)13/h2-6H,1,7H2,(H,12,13)
InChIKeyMNTDAVYHBWXYEY-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.73
Rot. Bonds4

About 4-prop-2-enoxycarbonylbenzoic acid

4-prop-2-enoxycarbonylbenzoic acid (PubChem CID 18349855) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is 4-prop-2-enoxycarbonylbenzoic acid.

Molecular Properties

Compound Name4-prop-2-enoxycarbonylbenzoic acid
PubChem CID18349855
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name4-prop-2-enoxycarbonylbenzoic acid
SMILESC=CCOC(=O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C11H10O4/c1-2-7-15-11(14)9-5-3-8(4-6-9)10(12)13/h2-6H,1,7H2,(H,12,13)
InChIKeyMNTDAVYHBWXYEY-UHFFFAOYSA-N
XLogP1.73
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
formic acid;prop-2-enyl benzoate
CID 174813743
prop-2-enyl 4-(4-bromophenyl)benzoate
CID 67763944
benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
prop-2-enyl 4-(aminomethoxy)benzoate
CID 156663143
4-hepta-3,6-dienoxycarbonylbenzoic acid
CID 142394340
bis(4-(2-prop-2-enoyloxyethoxycarbonyl)benzoic acid);zinc
CID 59502826
prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate
CID 21474565
benzene;4-prop-2-enoxybenzoic acid
CID 174857047
bis(but-3-enyl) benzene-1,4-dicarboxylate
CID 67880179
4-[4-(2-aminoethoxycarbonyl)phenyl]benzoic acid
CID 139668907
prop-2-enyl 3-phenylbenzoate
CID 22594829

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enoxycarbonylbenzoic acid?
The IUPAC name of 4-prop-2-enoxycarbonylbenzoic acid (CID 18349855) is 4-prop-2-enoxycarbonylbenzoic acid.
What is the SMILES notation for 4-prop-2-enoxycarbonylbenzoic acid?
The canonical SMILES for 4-prop-2-enoxycarbonylbenzoic acid is C=CCOC(=O)c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-prop-2-enoxycarbonylbenzoic acid?
The InChIKey is MNTDAVYHBWXYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O4/c1-2-7-15-11(14)9-5-3-8(4-6-9)10(12)13/h2-6H,1,7H2,(H,12,13).
What are the key properties of 4-prop-2-enoxycarbonylbenzoic acid?
4-prop-2-enoxycarbonylbenzoic acid has a molecular weight of 206.20 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enoxycarbonylbenzoic acid is sourced from PubChem (CID 18349855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).