2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol

C19H22O — CID 54425254

IUPAC2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol
SMILESC=CC(C)(c1cc(C)cc(C)c1)c1ccc(C)cc1O
InChIInChI=1S/C19H22O/c1-6-19(5,16-10-14(3)9-15(4)11-16)17-8-7-13(2)12-18(17)20/h6-12,20H,1H2,2-5H3
InChIKeyMMRUVOCHICDIDF-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.81
Rot. Bonds3

About 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol

2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol (PubChem CID 54425254) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol
PubChem CID54425254
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol
SMILESC=CC(C)(c1cc(C)cc(C)c1)c1ccc(C)cc1O
InChIInChI=1S/C19H22O/c1-6-19(5,16-10-14(3)9-15(4)11-16)17-8-7-13(2)12-18(17)20/h6-12,20H,1H2,2-5H3
InChIKeyMMRUVOCHICDIDF-UHFFFAOYSA-N
XLogP4.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.81
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

5-methyl-2-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 83698360
1-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
CID 130715029
2,6-dihydroxy-2-(2-hydroxy-4-methylphenyl)-6-methylhept-4-en-3-one
CID 74493494
1,2,3-trimethyl-5-[2-(3,4,5-trimethylphenyl)but-3-en-2-yl]benzene
CID 144591789
(E,2R)-2,7-dihydroxy-2-(2-hydroxy-4-methylphenyl)-7-methyloct-5-en-3-one
CID 10221283
2-[1-hydroxy-1-(2-prop-1-en-2-ylphenyl)ethyl]-5-methylphenol
CID 170636097
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
benzene-1,4-diol;1,3-ditert-butyl-5-methylbenzene
CID 174888195
4-[2-(3,5-dimethylphenyl)propan-2-yl]phenol
CID 174786384
2-methyl-2-(3-methylphenyl)but-3-enoic acid
CID 135375632
1-(2-chloro-4-methylphenyl)-2-(3,5-dimethylphenyl)propan-2-ol
CID 106866548

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol?
The IUPAC name of 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol (CID 54425254) is 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol.
What is the SMILES notation for 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol?
The canonical SMILES for 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol is C=CC(C)(c1cc(C)cc(C)c1)c1ccc(C)cc1O.
What is the InChIKey of 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol?
The InChIKey is MMRUVOCHICDIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-6-19(5,16-10-14(3)9-15(4)11-16)17-8-7-13(2)12-18(17)20/h6-12,20H,1H2,2-5H3.
What are the key properties of 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol?
2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol has a molecular weight of 266.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylphenyl)but-3-en-2-yl]-5-methylphenol is sourced from PubChem (CID 54425254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).