4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol

C22H18O — CID 88847819

IUPAC4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol
SMILESOC=CC=Cc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18O/c23-17-8-7-14-20-15-9-16-21(18-10-3-1-4-11-18)22(20)19-12-5-2-6-13-19/h1-17,23H
InChIKeyYMFYNWAIXHKKKT-UHFFFAOYSA-N
MW298.39 g/mol
LogP6.11
Rot. Bonds4

About 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol

4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol (PubChem CID 88847819) has the molecular formula C22H18O and a molecular weight of 298.39 g/mol. Its IUPAC name is 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol.

Molecular Properties

Compound Name4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol
PubChem CID88847819
Molecular FormulaC22H18O
Molecular Weight298.39 g/mol
Exact Mass298.14
IUPAC Name4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol
SMILESOC=CC=Cc1cccc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18O/c23-17-8-7-14-20-15-9-16-21(18-10-3-1-4-11-18)22(20)19-12-5-2-6-13-19/h1-17,23H
InChIKeyYMFYNWAIXHKKKT-UHFFFAOYSA-N
XLogP6.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.39
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[(E)-2-(2-phenylphenyl)ethenyl]benzene
CID 13307769
1-buta-1,3-dienyl-2-phenylbenzene
CID 54164854
1,2-bis[2-(2-phenylphenyl)ethenyl]benzene
CID 141477153
1-(2-iodoethenyl)-2-phenylbenzene
CID 54062221
N-hydroxy-5-(2-phenylphenyl)penta-2,4-dienamide
CID 173095645
2-(2-phenylphenyl)benzene-1,3-diol
CID 66853518
9-(2,6-diphenylphenyl)-10-[10-(2,6-diphenylphenyl)anthracen-9-yl]anthracene
CID 140754619
1,2-diphenyl-3-prop-1-en-2-ylbenzene
CID 142394581
(Z)-3-(2-phenylphenyl)prop-2-enoic acid
CID 19261531
2,4,6-tris(2,3-diphenylphenyl)-1,3,5-triazine
CID 171052343
1-phenyl-2-[(Z)-prop-1-enyl]benzene
CID 143027726
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol?
The IUPAC name of 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol (CID 88847819) is 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol.
What is the SMILES notation for 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol?
The canonical SMILES for 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol is OC=CC=Cc1cccc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol?
The InChIKey is YMFYNWAIXHKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O/c23-17-8-7-14-20-15-9-16-21(18-10-3-1-4-11-18)22(20)19-12-5-2-6-13-19/h1-17,23H.
What are the key properties of 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol?
4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol has a molecular weight of 298.39 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-diphenylphenyl)buta-1,3-dien-1-ol is sourced from PubChem (CID 88847819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).