2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol

C22H18O2 — CID 101232703

IUPAC2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol
SMILESOc1cc(-c2ccccc2)c(O)c(C2C=CC=C2)c1C1C=CC=C1
InChIInChI=1S/C22H18O2/c23-19-14-18(15-8-2-1-3-9-15)22(24)21(17-12-6-7-13-17)20(19)16-10-4-5-11-16/h1-14,16-17,23-24H
InChIKeyWUBAVCZDNPPLBW-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.18
Rot. Bonds3

About 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol

2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol (PubChem CID 101232703) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol.

Molecular Properties

Compound Name2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol
PubChem CID101232703
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol
SMILESOc1cc(-c2ccccc2)c(O)c(C2C=CC=C2)c1C1C=CC=C1
InChIInChI=1S/C22H18O2/c23-19-14-18(15-8-2-1-3-9-15)22(24)21(17-12-6-7-13-17)20(19)16-10-4-5-11-16/h1-14,16-17,23-24H
InChIKeyWUBAVCZDNPPLBW-UHFFFAOYSA-N
XLogP5.18
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol?
The IUPAC name of 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol (CID 101232703) is 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol.
What is the SMILES notation for 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol?
The canonical SMILES for 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol is Oc1cc(-c2ccccc2)c(O)c(C2C=CC=C2)c1C1C=CC=C1.
What is the InChIKey of 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol?
The InChIKey is WUBAVCZDNPPLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-19-14-18(15-8-2-1-3-9-15)22(24)21(17-12-6-7-13-17)20(19)16-10-4-5-11-16/h1-14,16-17,23-24H.
What are the key properties of 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol?
2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol has a molecular weight of 314.38 g/mol, XLogP of 5.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(cyclopenta-2,4-dien-1-yl)-5-phenylbenzene-1,4-diol is sourced from PubChem (CID 101232703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).