(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol

C15H22O3 — CID 10586794

IUPAC(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol
SMILESCCC/C(=C\Cc1c(OC)cccc1OC)CO
InChIInChI=1S/C15H22O3/c1-4-6-12(11-16)9-10-13-14(17-2)7-5-8-15(13)18-3/h5,7-9,16H,4,6,10-11H2,1-3H3/b12-9+
InChIKeySTAREORAVQQGHB-FMIVXFBMSA-N
MW250.34 g/mol
LogP2.97
Rot. Bonds7

About (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol

(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol (PubChem CID 10586794) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol.

Molecular Properties

Compound Name(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol
PubChem CID10586794
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol
SMILESCCC/C(=C\Cc1c(OC)cccc1OC)CO
InChIInChI=1S/C15H22O3/c1-4-6-12(11-16)9-10-13-14(17-2)7-5-8-15(13)18-3/h5,7-9,16H,4,6,10-11H2,1-3H3/b12-9+
InChIKeySTAREORAVQQGHB-FMIVXFBMSA-N
XLogP2.97
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dimethoxyphenyl)ethylidene]pentanoic acid
CID 67665909
1,3-dimethoxy-2-(3-methylbut-2-enyl)benzene
CID 54284542
(E)-4-(2,6-dimethoxyphenyl)-2-ethylbut-2-enoic acid
CID 67666661
1,3-dimethoxy-2-prop-2-enylbenzene
CID 3014232
3-methoxy-2-propylphenol
CID 10607156
2-butyl-1,3-dimethoxybenzene
CID 524840
2-[(E)-4-hydroxybut-2-enyl]-3-methoxyphenol
CID 67673367
N-[(2,6-dimethoxyphenyl)methyl]ethanamine
CID 43163718
2-fluoro-4-(2-methoxyphenyl)but-2-en-1-ol
CID 66982700
[(E)-3-(2,6-dimethoxyphenyl)prop-1-enyl] acetate
CID 135001864
1-(2,6-dimethoxyphenyl)pentan-3-one
CID 116811041
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol?
The IUPAC name of (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol (CID 10586794) is (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol.
What is the SMILES notation for (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol?
The canonical SMILES for (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol is CCC/C(=C\Cc1c(OC)cccc1OC)CO.
What is the InChIKey of (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol?
The InChIKey is STAREORAVQQGHB-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H22O3/c1-4-6-12(11-16)9-10-13-14(17-2)7-5-8-15(13)18-3/h5,7-9,16H,4,6,10-11H2,1-3H3/b12-9+.
What are the key properties of (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol?
(2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol has a molecular weight of 250.34 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[2-(2,6-dimethoxyphenyl)ethylidene]pentan-1-ol is sourced from PubChem (CID 10586794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).