4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol

C8H10O2 — CID 101028986

IUPAC4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol
SMILESOCC=C1C=CC(O)C=C1
InChIInChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-5,8-10H,6H2/b7-5-
InChIKeyVPYCCKHTBNYSIA-ALCCZGGFSA-N
MW138.17 g/mol
LogP0.39
Rot. Bonds1

About 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol

4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol (PubChem CID 101028986) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol
PubChem CID101028986
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol
SMILESOCC=C1C=CC(O)C=C1
InChIInChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-5,8-10H,6H2/b7-5-
InChIKeyVPYCCKHTBNYSIA-ALCCZGGFSA-N
XLogP0.39
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol?
The IUPAC name of 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol (CID 101028986) is 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol.
What is the SMILES notation for 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol?
The canonical SMILES for 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol is OCC=C1C=CC(O)C=C1.
What is the InChIKey of 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol?
The InChIKey is VPYCCKHTBNYSIA-ALCCZGGFSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-5-7-1-3-8(10)4-2-7/h1-5,8-10H,6H2/b7-5-.
What are the key properties of 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol?
4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol has a molecular weight of 138.17 g/mol, XLogP of 0.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethylidene)cyclohexa-2,5-dien-1-ol is sourced from PubChem (CID 101028986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).