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

C14H12O3-2 — CID 135566303

IUPAC(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol
SMILESOC1=C[CH-]/C(=C/C=C2/C=C(O)C=C(O)[CH-]2)C=C1
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/q-2
InChIKeyNPWJTWDULXDYMK-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.16
Rot. Bonds1

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

(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol (PubChem CID 135566303) has the molecular formula C14H12O3-2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol.

Molecular Properties

Compound Name(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol
PubChem CID135566303
Molecular FormulaC14H12O3-2
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol
SMILESOC1=C[CH-]/C(=C/C=C2/C=C(O)C=C(O)[CH-]2)C=C1
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/q-2
InChIKeyNPWJTWDULXDYMK-UHFFFAOYSA-N
XLogP3.16
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,8-Biphenylenediol, 2,7-dimethyl-
CID 10976766
6,7-Dihydronaphthalen-2-ol
CID 88556598
1,16-Dihydroxytetraphenylene
CID 11151846
1,5-Biphenylenediol
CID 13541361
1,8-Biphenylendiol
CID 13541363
Dihydroxycyclohexadiene
CID 14731724
m-Dihydroxy phenol
CID 20523645
p-Dihydroxyphenol
CID 22644296
2,8-Dimethylidenenaphthalene-1,4-diol
CID 53815679
3,6-Dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 53931519
2,5-Dimethyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54305950
2-Methyl-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 54372198

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol?
The IUPAC name of (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol (CID 135566303) is (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol.
What is the SMILES notation for (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol?
The canonical SMILES for (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol is OC1=C[CH-]/C(=C/C=C2/C=C(O)C=C(O)[CH-]2)C=C1.
What is the InChIKey of (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol?
The InChIKey is NPWJTWDULXDYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/q-2.
What are the key properties of (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol?
(5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol has a molecular weight of 228.25 g/mol, XLogP of 3.16, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(2Z)-2-(4-hydroxycyclohexa-2,4-dien-1-ylidene)ethylidene]cyclohexa-1,3-diene-1,3-diol is sourced from PubChem (CID 135566303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).