2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol

C21H30O2 — CID 54371000

IUPAC2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cccc1O
InChIInChI=1S/C21H30O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)14-15-19-20(22)12-7-13-21(19)23/h7-8,10,12-14,22-23H,5-6,9,11,15H2,1-4H3
InChIKeyUTEUCOFBKKSQSN-UHFFFAOYSA-N
MW314.47 g/mol
LogP6.06
Rot. Bonds8

About 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol

2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol (PubChem CID 54371000) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
PubChem CID54371000
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Name2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
SMILESCC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cccc1O
InChIInChI=1S/C21H30O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)14-15-19-20(22)12-7-13-21(19)23/h7-8,10,12-14,22-23H,5-6,9,11,15H2,1-4H3
InChIKeyUTEUCOFBKKSQSN-UHFFFAOYSA-N
XLogP6.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
3,5-dihydroxy-4-(3,7,11-trimethyldodeca-2,6,10-trienyl)-3H-2-benzofuran-1-one
CID 163320586
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol
CID 59444407
lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol
CID 167459395
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 14163455
4-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,2-diol
CID 140650993

Frequently Asked Questions

What is the IUPAC name of 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol?
The IUPAC name of 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol (CID 54371000) is 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol.
What is the SMILES notation for 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol?
The canonical SMILES for 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol is CC(C)=CCCC(C)=CCCC(C)=CCc1c(O)cccc1O.
What is the InChIKey of 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol?
The InChIKey is UTEUCOFBKKSQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2/c1-16(2)8-5-9-17(3)10-6-11-18(4)14-15-19-20(22)12-7-13-21(19)23/h7-8,10,12-14,22-23H,5-6,9,11,15H2,1-4H3.
What are the key properties of 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol?
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol has a molecular weight of 314.47 g/mol, XLogP of 6.06, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol is sourced from PubChem (CID 54371000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).