benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol

C22H22O — CID 174855850

IUPACbenzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
SMILESC1=CCC(C2=CC=CC2)=C1.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C10H10.C6H6O.C6H6/c1-2-6-9(5-1)10-7-3-4-8-10;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H,6,8H2;1-5,7H;1-6H
InChIKeyBOYBVTIBVLHVDQ-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.84
Rot. Bonds1

About benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol

benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol (PubChem CID 174855850) has the molecular formula C22H22O and a molecular weight of 302.42 g/mol. Its IUPAC name is benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol.

Molecular Properties

Compound Namebenzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
PubChem CID174855850
Molecular FormulaC22H22O
Molecular Weight302.42 g/mol
Exact Mass302.17
IUPAC Namebenzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
SMILESC1=CCC(C2=CC=CC2)=C1.Oc1ccccc1.c1ccccc1
InChIInChI=1S/C10H10.C6H6O.C6H6/c1-2-6-9(5-1)10-7-3-4-8-10;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H,6,8H2;1-5,7H;1-6H
InChIKeyBOYBVTIBVLHVDQ-UHFFFAOYSA-N
XLogP5.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol?
The IUPAC name of benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol (CID 174855850) is benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol.
What is the SMILES notation for benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol?
The canonical SMILES for benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol is C1=CCC(C2=CC=CC2)=C1.Oc1ccccc1.c1ccccc1.
What is the InChIKey of benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol?
The InChIKey is BOYBVTIBVLHVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.C6H6O.C6H6/c1-2-6-9(5-1)10-7-3-4-8-10;7-6-4-2-1-3-5-6;1-2-4-6-5-3-1/h1-5,7H,6,8H2;1-5,7H;1-6H.
What are the key properties of benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol?
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol has a molecular weight of 302.42 g/mol, XLogP of 5.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol is sourced from PubChem (CID 174855850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).