2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol

C22H24O — CID 164887740

IUPAC2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol
SMILESCC(C)=C1C(c2ccccc2)=C(c2ccccc2)C1(O)C(C)C
InChIInChI=1S/C22H24O/c1-15(2)20-19(17-11-7-5-8-12-17)21(22(20,23)16(3)4)18-13-9-6-10-14-18/h5-14,16,23H,1-4H3
InChIKeyYFPZEKXWHAYSON-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.33
Rot. Bonds3

About 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol

2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol (PubChem CID 164887740) has the molecular formula C22H24O and a molecular weight of 304.43 g/mol. Its IUPAC name is 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol.

Molecular Properties

Compound Name2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol
PubChem CID164887740
Molecular FormulaC22H24O
Molecular Weight304.43 g/mol
Exact Mass304.18
IUPAC Name2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol
SMILESCC(C)=C1C(c2ccccc2)=C(c2ccccc2)C1(O)C(C)C
InChIInChI=1S/C22H24O/c1-15(2)20-19(17-11-7-5-8-12-17)21(22(20,23)16(3)4)18-13-9-6-10-14-18/h5-14,16,23H,1-4H3
InChIKeyYFPZEKXWHAYSON-UHFFFAOYSA-N
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol?
The IUPAC name of 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol (CID 164887740) is 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol.
What is the SMILES notation for 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol?
The canonical SMILES for 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol is CC(C)=C1C(c2ccccc2)=C(c2ccccc2)C1(O)C(C)C.
What is the InChIKey of 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol?
The InChIKey is YFPZEKXWHAYSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O/c1-15(2)20-19(17-11-7-5-8-12-17)21(22(20,23)16(3)4)18-13-9-6-10-14-18/h5-14,16,23H,1-4H3.
What are the key properties of 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol?
2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol has a molecular weight of 304.43 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1-propan-2-yl-4-propan-2-ylidenecyclobut-2-en-1-ol is sourced from PubChem (CID 164887740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).