2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol

C22H28O3 — CID 5467409

IUPAC2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol
SMILESCOc1cc(C)c(CC/C(C)=C/Cc2cc(O)ccc2O)c(C)c1C
InChIInChI=1S/C22H28O3/c1-14(6-8-18-13-19(23)9-11-21(18)24)7-10-20-15(2)12-22(25-5)17(4)16(20)3/h6,9,11-13,23-24H,7-8,10H2,1-5H3/b14-6+
InChIKeyFFAKJAIQHPBXPV-MKMNVTDBSA-N
MW340.46 g/mol
LogP5.15
Rot. Bonds6

About 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol

2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol (PubChem CID 5467409) has the molecular formula C22H28O3 and a molecular weight of 340.46 g/mol. Its IUPAC name is 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol
PubChem CID5467409
Molecular FormulaC22H28O3
Molecular Weight340.46 g/mol
Exact Mass340.20
IUPAC Name2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol
SMILESCOc1cc(C)c(CC/C(C)=C/Cc2cc(O)ccc2O)c(C)c1C
InChIInChI=1S/C22H28O3/c1-14(6-8-18-13-19(23)9-11-21(18)24)7-10-20-15(2)12-22(25-5)17(4)16(20)3/h6,9,11-13,23-24H,7-8,10H2,1-5H3/b14-6+
InChIKeyFFAKJAIQHPBXPV-MKMNVTDBSA-N
XLogP5.15
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-3-(3-methylbut-2-enyl)phenol
CID 101027686
(2E,6E)-8-(2,5-dihydroxyphenyl)-2,6-dimethylocta-2,6-dienal
CID 11747343
2-(3,7-dimethylocta-2,6-dienyl)-4-methoxyphenol
CID 586140
2-[(2Z,6E,10E,14E,18Z)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-6-methoxybenzene-1,4-diol
CID 53481383
2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-6-methoxybenzene-1,4-diol
CID 50986202
2-[3-(4-hydroxy-2,3-dimethylphenyl)propyl]benzene-1,4-diol;4-[3-(4-methoxy-2,3-dimethylphenyl)propyl]benzene-1,3-diol
CID 161189941
4-methoxy-5-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)benzene-1,3-diol
CID 72732382
1-(2,4-dihydroxyphenyl)-3-[2-(3,7-dimethylocta-2,6-dienyl)-3,4-dimethoxyphenyl]propan-1-one
CID 57243748
2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol
CID 162975214
3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116927391
4-methoxy-2-(3-methylbut-2-enyl)phenol
CID 11819902
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol?
The IUPAC name of 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol (CID 5467409) is 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol.
What is the SMILES notation for 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol?
The canonical SMILES for 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol is COc1cc(C)c(CC/C(C)=C/Cc2cc(O)ccc2O)c(C)c1C.
What is the InChIKey of 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol?
The InChIKey is FFAKJAIQHPBXPV-MKMNVTDBSA-N. The full InChI is InChI=1S/C22H28O3/c1-14(6-8-18-13-19(23)9-11-21(18)24)7-10-20-15(2)12-22(25-5)17(4)16(20)3/h6,9,11-13,23-24H,7-8,10H2,1-5H3/b14-6+.
What are the key properties of 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol?
2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol has a molecular weight of 340.46 g/mol, XLogP of 5.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-5-(4-methoxy-2,3,6-trimethylphenyl)-3-methylpent-2-enyl]benzene-1,4-diol is sourced from PubChem (CID 5467409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).