2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol

C21H22O — CID 102387925

IUPAC2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol
SMILESC=C(C)C(=C=C(c1ccccc1)c1ccccc1)C(C)(C)O
InChIInChI=1S/C21H22O/c1-16(2)20(21(3,4)22)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,22H,1H2,2-4H3
InChIKeyTZYQKHHYPOVQTQ-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.99
Rot. Bonds4

About 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol

2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol (PubChem CID 102387925) has the molecular formula C21H22O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol.

Molecular Properties

Compound Name2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol
PubChem CID102387925
Molecular FormulaC21H22O
Molecular Weight290.41 g/mol
Exact Mass290.17
IUPAC Name2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol
SMILESC=C(C)C(=C=C(c1ccccc1)c1ccccc1)C(C)(C)O
InChIInChI=1S/C21H22O/c1-16(2)20(21(3,4)22)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,22H,1H2,2-4H3
InChIKeyTZYQKHHYPOVQTQ-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol
CID 529303
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
bis(diphenylmethanone);2-methylprop-2-enoic acid
CID 175044660
(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
2-methyl-5,5-diphenylpenta-3,4-dien-2-ol
CID 606056
(3-ethyl-1-phenylpenta-1,2-dienyl)benzene
CID 134977921
3-hydroxy-3-methyl-1-phenylbutane-1,2-dione
CID 125490903
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
benzoic acid;bis(methyl 2-methylprop-2-enoate)
CID 91475407
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
3,3,4-trimethyl-2-phenylpent-4-en-2-ol
CID 101413424

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol?
The IUPAC name of 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol (CID 102387925) is 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol.
What is the SMILES notation for 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol?
The canonical SMILES for 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol is C=C(C)C(=C=C(c1ccccc1)c1ccccc1)C(C)(C)O.
What is the InChIKey of 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol?
The InChIKey is TZYQKHHYPOVQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O/c1-16(2)20(21(3,4)22)15-19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,22H,1H2,2-4H3.
What are the key properties of 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol?
2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol has a molecular weight of 290.41 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,5-diphenyl-3-prop-1-en-2-ylpenta-3,4-dien-2-ol is sourced from PubChem (CID 102387925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).