2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol

C19H28O2 — CID 59444407

IUPAC2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol
SMILESCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1
InChIInChI=1S/C19H28O2/c1-5-7-16-12-18(20)17(19(21)13-16)11-10-15(4)9-6-8-14(2)3/h8,10,12-13,20-21H,5-7,9,11H2,1-4H3/b15-10+
InChIKeyYJYIDZLGVYOPGU-XNTDXEJSSA-N
MW288.43 g/mol
LogP5.29
Rot. Bonds7

About 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol

2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol (PubChem CID 59444407) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol.

Molecular Properties

Compound Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol
PubChem CID59444407
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol
SMILESCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1
InChIInChI=1S/C19H28O2/c1-5-7-16-12-18(20)17(19(21)13-16)11-10-15(4)9-6-8-14(2)3/h8,10,12-13,20-21H,5-7,9,11H2,1-4H3/b15-10+
InChIKeyYJYIDZLGVYOPGU-XNTDXEJSSA-N
XLogP5.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.29
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

lithium 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-ethylbenzene-1,3-diol
CID 167459395
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-hydroxyethoxy)-5-pentylphenol
CID 167459407
2-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,3-diol
CID 54371000
[2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-5-pentylphenoxy]methyl acetate
CID 156751543
3-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-dihydroxy-6-pentylbenzoic acid;3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-pentylbenzoic acid;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-pentylphenol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-pentylbenzene-1,3-diol;2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol
CID 169426528
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
CID 14163455
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trimethylbenzene
CID 102457415
4-(3,7,11-trimethyldodeca-2,6,10-trienyl)benzene-1,2-diol
CID 140650993
5-[2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4,5-dihydroxyphenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
CID 11825998
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methyl-5-pentylaniline
CID 146436192
2-(3,7-dimethylocta-2,6-dienyl)-5-[2-(4-fluorophenyl)ethenyl]benzene-1,3-diol
CID 75038821
methyl N-[[2-(3,7-dimethylocta-2,6-dienyl)-3-hydroxy-5-pentylphenoxy]methyl]-N-methylcarbamate
CID 156751514

Frequently Asked Questions

What is the IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol?
The IUPAC name of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol (CID 59444407) is 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol.
What is the SMILES notation for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol?
The canonical SMILES for 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol is CCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1.
What is the InChIKey of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol?
The InChIKey is YJYIDZLGVYOPGU-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H28O2/c1-5-7-16-12-18(20)17(19(21)13-16)11-10-15(4)9-6-8-14(2)3/h8,10,12-13,20-21H,5-7,9,11H2,1-4H3/b15-10+.
What are the key properties of 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol?
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-propylbenzene-1,3-diol has a molecular weight of 288.43 g/mol, XLogP of 5.29, 7 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]-5-propylbenzene-1,3-diol is sourced from PubChem (CID 59444407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).