(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol

C17H26O3 — CID 174793032

IUPAC(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol
SMILESCC(C)=CCC/C(C)=C/CO.COc1ccccc1O
InChIInChI=1S/C10H18O.C7H8O2/c1-9(2)5-4-6-10(3)7-8-11;1-9-7-5-3-2-4-6(7)8/h5,7,11H,4,6,8H2,1-3H3;2-5,8H,1H3/b10-7+;
InChIKeyPSCOMYBVDNQTDI-HCUGZAAXSA-N
MW278.39 g/mol
LogP4.07
Rot. Bonds5

About (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol

(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol (PubChem CID 174793032) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol.

Molecular Properties

Compound Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol
PubChem CID174793032
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol
SMILESCC(C)=CCC/C(C)=C/CO.COc1ccccc1O
InChIInChI=1S/C10H18O.C7H8O2/c1-9(2)5-4-6-10(3)7-8-11;1-9-7-5-3-2-4-6(7)8/h5,7,11H,4,6,8H2,1-3H3;2-5,8H,1H3/b10-7+;
InChIKeyPSCOMYBVDNQTDI-HCUGZAAXSA-N
XLogP4.07
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,7-dimethylocta-2,6-dienyl)-2-methoxyaniline
CID 68706568
(2E)-3,7-dimethylocta-2,6-dien-1-ol;hydrochloride
CID 126649589
(2Z,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-ol
CID 90659053
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438
(2E)-3,7-dimethylocta-2,6-dien-1-ol;4-methoxybenzoic acid
CID 174832774
benzyl acetate;(2E)-3,7-dimethylocta-2,6-dien-1-ol
CID 67892441
2-(3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl)-4-methoxynaphthalen-1-ol
CID 162975214
1-(3,7-dimethylocta-2,6-dienoxy)-6-methoxyphenazine
CID 162858744
(2E)-3,7-dimethylocta-2,6-dien-1-ol;methyl 3,4,5-trihydroxybenzoate
CID 126649576
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-methoxyphenyl)thiourea
CID 71541050
azane;2-methoxyphenol
CID 172717837
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

Frequently Asked Questions

What is the IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol?
The IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol (CID 174793032) is (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol.
What is the SMILES notation for (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol?
The canonical SMILES for (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol is CC(C)=CCC/C(C)=C/CO.COc1ccccc1O.
What is the InChIKey of (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol?
The InChIKey is PSCOMYBVDNQTDI-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H18O.C7H8O2/c1-9(2)5-4-6-10(3)7-8-11;1-9-7-5-3-2-4-6(7)8/h5,7,11H,4,6,8H2,1-3H3;2-5,8H,1H3/b10-7+;.
What are the key properties of (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol?
(2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol has a molecular weight of 278.39 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethylocta-2,6-dien-1-ol;2-methoxyphenol is sourced from PubChem (CID 174793032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).