2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol

C14H12O4 — CID 161072337

IUPAC2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol
SMILESOC(=CC=C1C=CC=C1)c1c(O)cc(O)cc1O
InChIInChI=1S/C14H12O4/c15-10-7-12(17)14(13(18)8-10)11(16)6-5-9-3-1-2-4-9/h1-8,15-18H
InChIKeyKNAKNWJVSQXJOW-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.75
Rot. Bonds2

About 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol

2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol (PubChem CID 161072337) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol.

Molecular Properties

Compound Name2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol
PubChem CID161072337
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol
SMILESOC(=CC=C1C=CC=C1)c1c(O)cc(O)cc1O
InChIInChI=1S/C14H12O4/c15-10-7-12(17)14(13(18)8-10)11(16)6-5-9-3-1-2-4-9/h1-8,15-18H
InChIKeyKNAKNWJVSQXJOW-UHFFFAOYSA-N
XLogP2.75
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;(Z)-3-cyclopenta-2,4-dien-1-ylidene-1-(2-hydroxy-4,6-dimethoxyphenyl)prop-1-en-1-olate;iron(2+)
CID 71592851
2-[(E)-2-(2,4,6-trihydroxyphenyl)ethenyl]benzene-1,3,5-triol
CID 10221223
2-(carboxymethyl)-4,6-dihydroxybenzoic acid
CID 24972403
benzene-1,3,5-triol
CID 359
bis(2,4-dihydroxy-6-methylphenyl)methanone
CID 23364960
2,4-dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]benzoic acid
CID 10061771
actinium;2,4,6-trihydroxybenzaldehyde
CID 23534158
(2,3,4,6-tetrahydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
CID 146550128
CID 70471879
CID 70471879
2-[2-(2,4,6-trihydroxyphenyl)ethyl]benzene-1,3,5-triol
CID 90416964
2-[(2,4,6-trihydroxyphenyl)diazenyl]benzene-1,3,5-triol
CID 159009419
(2S)-2-amino-1-(2,4,6-trihydroxyphenyl)propan-1-one
CID 118469870

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol?
The IUPAC name of 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol (CID 161072337) is 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol.
What is the SMILES notation for 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol?
The canonical SMILES for 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol is OC(=CC=C1C=CC=C1)c1c(O)cc(O)cc1O.
What is the InChIKey of 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol?
The InChIKey is KNAKNWJVSQXJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c15-10-7-12(17)14(13(18)8-10)11(16)6-5-9-3-1-2-4-9/h1-8,15-18H.
What are the key properties of 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol?
2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol has a molecular weight of 244.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopenta-2,4-dien-1-ylidene-1-hydroxyprop-1-enyl)benzene-1,3,5-triol is sourced from PubChem (CID 161072337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).