1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid

C18H14O4 — CID 139570537

IUPAC1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid
SMILESC=CCc1c2c(cc(C(=O)O)c1C(=O)O)-c1ccccc1C2
InChIInChI=1S/C18H14O4/c1-2-5-12-13-8-10-6-3-4-7-11(10)14(13)9-15(17(19)20)16(12)18(21)22/h2-4,6-7,9H,1,5,8H2,(H,19,20)(H,21,22)
InChIKeyVNGSBQVZGTZYSG-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.38
Rot. Bonds4

About 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid

1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid (PubChem CID 139570537) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid.

Molecular Properties

Compound Name1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid
PubChem CID139570537
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid
SMILESC=CCc1c2c(cc(C(=O)O)c1C(=O)O)-c1ccccc1C2
InChIInChI=1S/C18H14O4/c1-2-5-12-13-8-10-6-3-4-7-11(10)14(13)9-15(17(19)20)16(12)18(21)22/h2-4,6-7,9H,1,5,8H2,(H,19,20)(H,21,22)
InChIKeyVNGSBQVZGTZYSG-UHFFFAOYSA-N
XLogP3.38
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Pyromellitic Acid
CID 6961
Trimellitic acid
CID 10708
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
2,6-Naphthalenedicarboxylic acid
CID 14357
3,4-Dimethylbenzoic acid
CID 12073
Benzoic acid, 2-((1,1'-biphenyl)-4-ylcarbonyl)-
CID 39302
2-Naphthoic acid
CID 7123
2-Benzoylbenzoic Acid
CID 6813
(1,1'-Biphenyl)-4,4'-dicarboxylic acid
CID 13084
AC55649
CID 1714884
4-Methylphthalic acid
CID 20310
o-Benzylbenzoic acid
CID 11924

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid?
The IUPAC name of 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid (CID 139570537) is 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid.
What is the SMILES notation for 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid?
The canonical SMILES for 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid is C=CCc1c2c(cc(C(=O)O)c1C(=O)O)-c1ccccc1C2.
What is the InChIKey of 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid?
The InChIKey is VNGSBQVZGTZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-2-5-12-13-8-10-6-3-4-7-11(10)14(13)9-15(17(19)20)16(12)18(21)22/h2-4,6-7,9H,1,5,8H2,(H,19,20)(H,21,22).
What are the key properties of 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid?
1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid is sourced from PubChem (CID 139570537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).