[4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol

C14H14O2 — CID 67806158

IUPAC[4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol
SMILESOC=C1C=CC(C2=CCC(=CO)C=C2)=CC1
InChIInChI=1S/C14H14O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1,3,5-10,15-16H,2,4H2
InChIKeyZTGNOUVPXOKXNI-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.64
Rot. Bonds1

About [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol

[4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol (PubChem CID 67806158) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol.

Molecular Properties

Compound Name[4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol
PubChem CID67806158
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name[4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol
SMILESOC=C1C=CC(C2=CCC(=CO)C=C2)=CC1
InChIInChI=1S/C14H14O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1,3,5-10,15-16H,2,4H2
InChIKeyZTGNOUVPXOKXNI-UHFFFAOYSA-N
XLogP3.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol?
The IUPAC name of [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol (CID 67806158) is [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol.
What is the SMILES notation for [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol?
The canonical SMILES for [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol is OC=C1C=CC(C2=CCC(=CO)C=C2)=CC1.
What is the InChIKey of [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol?
The InChIKey is ZTGNOUVPXOKXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c15-9-11-1-5-13(6-2-11)14-7-3-12(10-16)4-8-14/h1,3,5-10,15-16H,2,4H2.
What are the key properties of [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol?
[4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol has a molecular weight of 214.26 g/mol, XLogP of 3.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methanol is sourced from PubChem (CID 67806158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).