(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid

C16H12O4 — CID 163301267

IUPAC(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid
SMILESCOc1ccc2c(c1)/C(=C\O)c1cc(C(=O)O)ccc1-2
InChIInChI=1S/C16H12O4/c1-20-10-3-5-12-11-4-2-9(16(18)19)6-13(11)15(8-17)14(12)7-10/h2-8,17H,1H3,(H,18,19)/b15-8-
InChIKeyCZJZFVMXFPKIKP-NVNXTCNLSA-N
MW268.27 g/mol
LogP3.32
Rot. Bonds2

About (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid

(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid (PubChem CID 163301267) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid.

Molecular Properties

Compound Name(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid
PubChem CID163301267
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid
SMILESCOc1ccc2c(c1)/C(=C\O)c1cc(C(=O)O)ccc1-2
InChIInChI=1S/C16H12O4/c1-20-10-3-5-12-11-4-2-9(16(18)19)6-13(11)15(8-17)14(12)7-10/h2-8,17H,1H3,(H,18,19)/b15-8-
InChIKeyCZJZFVMXFPKIKP-NVNXTCNLSA-N
XLogP3.32
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid?
The IUPAC name of (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid (CID 163301267) is (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid.
What is the SMILES notation for (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid?
The canonical SMILES for (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid is COc1ccc2c(c1)/C(=C\O)c1cc(C(=O)O)ccc1-2.
What is the InChIKey of (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid?
The InChIKey is CZJZFVMXFPKIKP-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H12O4/c1-20-10-3-5-12-11-4-2-9(16(18)19)6-13(11)15(8-17)14(12)7-10/h2-8,17H,1H3,(H,18,19)/b15-8-.
What are the key properties of (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid?
(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid is sourced from PubChem (CID 163301267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).