1,1-diphenylbut-3-en-2-ol

C16H16O — CID 88826241

IUPAC1,1-diphenylbut-3-en-2-ol
SMILESC=CC(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,15-17H,1H2
InChIKeyPNODJDSFALPKGO-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.37
Rot. Bonds4

About 1,1-diphenylbut-3-en-2-ol

1,1-diphenylbut-3-en-2-ol (PubChem CID 88826241) has the molecular formula C16H16O and a molecular weight of 224.30 g/mol. Its IUPAC name is 1,1-diphenylbut-3-en-2-ol.

Molecular Properties

Compound Name1,1-diphenylbut-3-en-2-ol
PubChem CID88826241
Molecular FormulaC16H16O
Molecular Weight224.30 g/mol
Exact Mass224.12
IUPAC Name1,1-diphenylbut-3-en-2-ol
SMILESC=CC(O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H16O/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,15-17H,1H2
InChIKeyPNODJDSFALPKGO-UHFFFAOYSA-N
XLogP3.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;1-phenylprop-2-en-1-ol
CID 174884403
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(2S)-1,1-diphenylpent-4-en-2-ol
CID 11390776
(3R,4S)-4-(N-phenylanilino)hexa-1,5-dien-3-ol
CID 10989171
(1S)-1,2,2-triphenylethanol
CID 38988933
[(1R,2S)-1-ethenyl-2-phenylbut-3-enyl]benzene
CID 12573330
penta-1,4-dien-3-ylbenzene
CID 15879286
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
5-fluoro-1,1-diphenylpenta-3,4-dien-2-ol
CID 90206715
[(1R)-1-[(1R)-1-phenylprop-2-enyl]sulfanylprop-2-enyl]benzene
CID 141305061
1-(1-phenylprop-2-enyldisulfanyl)prop-2-enylbenzene
CID 87154627
(1R,2S)-2-amino-1-phenylbut-3-en-1-ol
CID 10942782

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylbut-3-en-2-ol?
The IUPAC name of 1,1-diphenylbut-3-en-2-ol (CID 88826241) is 1,1-diphenylbut-3-en-2-ol.
What is the SMILES notation for 1,1-diphenylbut-3-en-2-ol?
The canonical SMILES for 1,1-diphenylbut-3-en-2-ol is C=CC(O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,1-diphenylbut-3-en-2-ol?
The InChIKey is PNODJDSFALPKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O/c1-2-15(17)16(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h2-12,15-17H,1H2.
What are the key properties of 1,1-diphenylbut-3-en-2-ol?
1,1-diphenylbut-3-en-2-ol has a molecular weight of 224.30 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylbut-3-en-2-ol is sourced from PubChem (CID 88826241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).