(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione

C11H8O4 — CID 23147999

IUPAC(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)/C(=C\O)C2=O
InChIInChI=1S/C11H8O4/c1-15-6-2-3-7-8(4-6)11(14)9(5-12)10(7)13/h2-5,12H,1H3/b9-5-
InChIKeyHRNOKPGZPZPAPU-UITAMQMPSA-N
MW204.18 g/mol
LogP1.52
Rot. Bonds1

About (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione

(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione (PubChem CID 23147999) has the molecular formula C11H8O4 and a molecular weight of 204.18 g/mol. Its IUPAC name is (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione.

Molecular Properties

Compound Name(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
PubChem CID23147999
Molecular FormulaC11H8O4
Molecular Weight204.18 g/mol
Exact Mass204.04
IUPAC Name(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione
SMILESCOc1ccc2c(c1)C(=O)/C(=C\O)C2=O
InChIInChI=1S/C11H8O4/c1-15-6-2-3-7-8(4-6)11(14)9(5-12)10(7)13/h2-5,12H,1H3/b9-5-
InChIKeyHRNOKPGZPZPAPU-UITAMQMPSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_one_A(55)', 'substructure': 'N/A'}, {'alert_name': 'keto_keto_beta_D(5)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

(9Z)-9-(hydroxymethylidene)-7-methoxyfluorene-2-carboxylic acid
CID 163301267
2-bromo-6-methoxyanthracene-9,10-dione
CID 138963377
5-methoxy-2-[4-[4-(5-methoxy-1,3-dioxoinden-2-ylidene)cyclohexa-2,5-dien-1-ylidene]cyclohexa-2,5-dien-1-ylidene]indene-1,3-dione
CID 171734451
6-methoxy-2,3-dimethylinden-1-one
CID 71441575
2-methoxy-6-methylfluoren-9-one
CID 169198654
2,3-dibromo-6-methoxyinden-1-one
CID 170703221
1-hydroxy-7-methoxyanthracene-9,10-dione
CID 10515079
2-ethyl-3,6-dimethoxynaphthalene-1,4-dione
CID 19873115
2-hydroxy-5-methoxyindene-1,3-dione
CID 139638113
2-[(4-methoxy-2-methylphenyl)methylidene]indene-1,3-dione
CID 3460822
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
2,3-dihydroxy-4-(hydroxymethyl)-9-methoxy-2,3-dihydro-1H-cyclopenta[a]anthracene-6,11-dione
CID 67808415

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione?
The IUPAC name of (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione (CID 23147999) is (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione.
What is the SMILES notation for (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione?
The canonical SMILES for (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione is COc1ccc2c(c1)C(=O)/C(=C\O)C2=O.
What is the InChIKey of (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione?
The InChIKey is HRNOKPGZPZPAPU-UITAMQMPSA-N. The full InChI is InChI=1S/C11H8O4/c1-15-6-2-3-7-8(4-6)11(14)9(5-12)10(7)13/h2-5,12H,1H3/b9-5-.
What are the key properties of (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione?
(2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione has a molecular weight of 204.18 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(hydroxymethylidene)-5-methoxyindene-1,3-dione is sourced from PubChem (CID 23147999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).