2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol

C20H24O2 — CID 56928124

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol
SMILESCC(C)=CCC/C(C)=C/Cc1cc(O)c2ccccc2c1O
InChIInChI=1S/C20H24O2/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20(16)22/h4-5,7,9-11,13,21-22H,6,8,12H2,1-3H3/b15-11+
InChIKeyWASWRHBQWJCLSQ-RVDMUPIBSA-N
MW296.41 g/mol
LogP5.49
Rot. Bonds5

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol

2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol (PubChem CID 56928124) has the molecular formula C20H24O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol
PubChem CID56928124
Molecular FormulaC20H24O2
Molecular Weight296.41 g/mol
Exact Mass296.18
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol
SMILESCC(C)=CCC/C(C)=C/Cc1cc(O)c2ccccc2c1O
InChIInChI=1S/C20H24O2/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20(16)22/h4-5,7,9-11,13,21-22H,6,8,12H2,1-3H3/b15-11+
InChIKeyWASWRHBQWJCLSQ-RVDMUPIBSA-N
XLogP5.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.41
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol
CID 162975214
2,3-dimethyl-5-[(2Z,6Z,10Z)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene-1,4-diol
CID 155295733
3-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]benzene-1,2-diol
CID 25244264
2-[(2E,6E,10E,14E,18E,22Z,26E,30E,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl]-3-methylnaphthalene-1,4-diol
CID 175684261
2-methyl-3-[(2E,6Z,10Z,14E,18E,22E,26Z,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 172914185
2-methyl-3-[(2E,6E,10Z,14Z,18E,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 134823864
2-methyl-3-[(2E,6E,10Z,14E,18Z,22Z,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]naphthalene-1,4-diol
CID 163201273
2-methyl-3-[(2Z,6Z,10Z,14E,18E,22E,26Z,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl]naphthalene-1,4-diol
CID 156599551
ethane;2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-3-methylnaphthalene-1,4-diol
CID 144787594
4-methoxy-5-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl)benzene-1,3-diol
CID 72732382
3,5-bis(3,7-dimethylocta-2,6-dienyl)-4-hydroxybenzoic acid
CID 85102852
2-methyl-6-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,4-diol
CID 74960803

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol (CID 56928124) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol is CC(C)=CCC/C(C)=C/Cc1cc(O)c2ccccc2c1O.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol?
The InChIKey is WASWRHBQWJCLSQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H24O2/c1-14(2)7-6-8-15(3)11-12-16-13-19(21)17-9-4-5-10-18(17)20(16)22/h4-5,7,9-11,13,21-22H,6,8,12H2,1-3H3/b15-11+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol has a molecular weight of 296.41 g/mol, XLogP of 5.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]naphthalene-1,4-diol is sourced from PubChem (CID 56928124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).