2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol

C19H20O2 — CID 74402961

IUPAC2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol
SMILESCC(C)C=Cc1c(O)cc(C=Cc2ccccc2)cc1O
InChIInChI=1S/C19H20O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-14,20-21H,1-2H3
InChIKeyKUSQBRNAJLPISW-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.94
Rot. Bonds4

About 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol

2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol (PubChem CID 74402961) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol
PubChem CID74402961
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol
SMILESCC(C)C=Cc1c(O)cc(C=Cc2ccccc2)cc1O
InChIInChI=1S/C19H20O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-14,20-21H,1-2H3
InChIKeyKUSQBRNAJLPISW-UHFFFAOYSA-N
XLogP4.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 176681357
2-methyl-5-(2-phenylethenyl)benzene-1,3-diol
CID 68629496
5-[(1E,3E)-4-phenylbuta-1,3-dienyl]-2-propan-2-ylbenzene-1,3-diol
CID 71488581
2-ethyl-5-[(E)-2-phenylethenyl]benzene-1,3-diol
CID 6439521
[3-hydroxy-5-(2-phenylethenyl)-2-propan-2-ylphenyl] hydrogen sulfate
CID 171323387
2-chloro-5-(2-phenylethenyl)phenol
CID 174326276
2-methoxy-5-[(Z)-2-phenylethenyl]phenol
CID 6473980
[(1E,3E,5E)-7-methylocta-1,3,5-trienyl]benzene
CID 176640300
stilbene;sulfuric acid
CID 67612140
3-hydroxysulfanyloxy-5-[(E)-2-phenylethenyl]-2-propan-2-ylphenol
CID 167457311
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
4-(3-methylbut-1-enyl)phenol
CID 57250794

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol?
The IUPAC name of 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol (CID 74402961) is 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol.
What is the SMILES notation for 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol?
The canonical SMILES for 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol is CC(C)C=Cc1c(O)cc(C=Cc2ccccc2)cc1O.
What is the InChIKey of 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol?
The InChIKey is KUSQBRNAJLPISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-14(2)8-11-17-18(20)12-16(13-19(17)21)10-9-15-6-4-3-5-7-15/h3-14,20-21H,1-2H3.
What are the key properties of 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol?
2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol has a molecular weight of 280.37 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-1-enyl)-5-(2-phenylethenyl)benzene-1,3-diol is sourced from PubChem (CID 74402961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).