4-phenylcyclohexa-1,3-diene-1,2-diol

C12H12O2 — CID 22149773

IUPAC4-phenylcyclohexa-1,3-diene-1,2-diol
SMILESOC1=C(O)CCC(c2ccccc2)=C1
InChIInChI=1S/C12H12O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-5,8,13-14H,6-7H2
InChIKeyDFHCVSZWJMZVFA-UHFFFAOYSA-N
MW188.23 g/mol
LogP3.19
Rot. Bonds1

About 4-phenylcyclohexa-1,3-diene-1,2-diol

4-phenylcyclohexa-1,3-diene-1,2-diol (PubChem CID 22149773) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-phenylcyclohexa-1,3-diene-1,2-diol.

Molecular Properties

Compound Name4-phenylcyclohexa-1,3-diene-1,2-diol
PubChem CID22149773
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name4-phenylcyclohexa-1,3-diene-1,2-diol
SMILESOC1=C(O)CCC(c2ccccc2)=C1
InChIInChI=1S/C12H12O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-5,8,13-14H,6-7H2
InChIKeyDFHCVSZWJMZVFA-UHFFFAOYSA-N
XLogP3.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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benzene;tris(1,1'-biphenyl)
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1-(4-phenylcyclohexa-1,3-dien-1-yl)ethanone
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3,5-difluoro-1-phenylcyclohexa-1,3-diene
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(10E,14E)-11,14-diphenyl-5-oxatricyclo[7.6.0.03,7]pentadeca-1(9),10,14-triene-4,6-dione
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1,1'-biphenyl;cycloheptane
CID 174877368
4-phenylcyclopent-3-ene-1,2-diol
CID 85106712
CID 53446764
CID 53446764
bis(1,1'-biphenyl);sulfane
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CID 67099988

Frequently Asked Questions

What is the IUPAC name of 4-phenylcyclohexa-1,3-diene-1,2-diol?
The IUPAC name of 4-phenylcyclohexa-1,3-diene-1,2-diol (CID 22149773) is 4-phenylcyclohexa-1,3-diene-1,2-diol.
What is the SMILES notation for 4-phenylcyclohexa-1,3-diene-1,2-diol?
The canonical SMILES for 4-phenylcyclohexa-1,3-diene-1,2-diol is OC1=C(O)CCC(c2ccccc2)=C1.
What is the InChIKey of 4-phenylcyclohexa-1,3-diene-1,2-diol?
The InChIKey is DFHCVSZWJMZVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-7-6-10(8-12(11)14)9-4-2-1-3-5-9/h1-5,8,13-14H,6-7H2.
What are the key properties of 4-phenylcyclohexa-1,3-diene-1,2-diol?
4-phenylcyclohexa-1,3-diene-1,2-diol has a molecular weight of 188.23 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylcyclohexa-1,3-diene-1,2-diol is sourced from PubChem (CID 22149773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).