(4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol

C14H12O4-2 — CID 169410461

IUPAC(4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol
SMILESOC1=C/C(=C/C=C2\C=C(O)C(O)=C[CH-]2)[CH-]C(O)=C1
InChIInChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/q-2/b9-1-
InChIKeyNMYLVOQPRVAQDG-OQYWKCLKSA-N
MW244.25 g/mol
LogP3.04
Rot. Bonds1

About (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol

(4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol (PubChem CID 169410461) has the molecular formula C14H12O4-2 and a molecular weight of 244.25 g/mol. Its IUPAC name is (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol.

Molecular Properties

Compound Name(4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol
PubChem CID169410461
Molecular FormulaC14H12O4-2
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name(4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol
SMILESOC1=C/C(=C/C=C2\C=C(O)C(O)=C[CH-]2)[CH-]C(O)=C1
InChIInChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/q-2/b9-1-
InChIKeyNMYLVOQPRVAQDG-OQYWKCLKSA-N
XLogP3.04
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol with MolForge

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Related Compounds

1,5-Biphenylenediol
CID 13541361
1,8-Biphenylendiol
CID 13541363
2,8-Dimethylidenenaphthalene-1,4-diol
CID 53815679
2-Methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54372198
(2S)-2,3-dihydronaphthalene-1,2-diol
CID 4369257
(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol
CID 135566303
Naphthalene-2,3,4a,8a-tetrol
CID 20317982
6,7-Dihydronaphthalen-1-ol
CID 20633891
5,6-Dimethylidenecyclohexa-1,3-diene-1,2,3,4-tetrol
CID 54117195
2,3-Dihydronaphthalene-1,4,5,8-tetrol
CID 57072129
3-(Dihydroxymethylidene)-6-(1-hydroxybutylidene)cyclohexa-1,4-diene-1,4-diol
CID 57124322
6-Methylidenecyclohexa-1,3-diene-1,3-diol
CID 67791001

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol?
The IUPAC name of (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol (CID 169410461) is (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol.
What is the SMILES notation for (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol?
The canonical SMILES for (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol is OC1=C/C(=C/C=C2\C=C(O)C(O)=C[CH-]2)[CH-]C(O)=C1.
What is the InChIKey of (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol?
The InChIKey is NMYLVOQPRVAQDG-OQYWKCLKSA-N. The full InChI is InChI=1S/C14H12O4/c15-11-5-10(6-12(16)8-11)2-1-9-3-4-13(17)14(18)7-9/h1-8,15-18H/q-2/b9-1-.
What are the key properties of (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol?
(4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol has a molecular weight of 244.25 g/mol, XLogP of 3.04, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2E)-2-(3,5-dihydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-2,6-diene-1,2-diol is sourced from PubChem (CID 169410461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).