4-prop-2-enylcyclohexa-1,3-diene-1,2-diol

C9H12O2 — CID 146649477

IUPAC4-prop-2-enylcyclohexa-1,3-diene-1,2-diol
SMILESC=CCC1=CC(O)=C(O)CC1
InChIInChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,6,10-11H,1,3-5H2
InChIKeyPAYOTDROMSLSQO-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.61
Rot. Bonds2

About 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol

4-prop-2-enylcyclohexa-1,3-diene-1,2-diol (PubChem CID 146649477) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol.

Molecular Properties

Compound Name4-prop-2-enylcyclohexa-1,3-diene-1,2-diol
PubChem CID146649477
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-prop-2-enylcyclohexa-1,3-diene-1,2-diol
SMILESC=CCC1=CC(O)=C(O)CC1
InChIInChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,6,10-11H,1,3-5H2
InChIKeyPAYOTDROMSLSQO-UHFFFAOYSA-N
XLogP2.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol?
The IUPAC name of 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol (CID 146649477) is 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol.
What is the SMILES notation for 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol?
The canonical SMILES for 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol is C=CCC1=CC(O)=C(O)CC1.
What is the InChIKey of 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol?
The InChIKey is PAYOTDROMSLSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)9(11)6-7/h2,6,10-11H,1,3-5H2.
What are the key properties of 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol?
4-prop-2-enylcyclohexa-1,3-diene-1,2-diol has a molecular weight of 152.19 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylcyclohexa-1,3-diene-1,2-diol is sourced from PubChem (CID 146649477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).