2,4-dimethoxy-1-(non-8-enoxymethyl)benzene

C18H28O3 — CID 155664425

IUPAC2,4-dimethoxy-1-(non-8-enoxymethyl)benzene
SMILESC=CCCCCCCCOCc1ccc(OC)cc1OC
InChIInChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-13-21-15-16-11-12-17(19-2)14-18(16)20-3/h4,11-12,14H,1,5-10,13,15H2,2-3H3
InChIKeyJQBCVZHNFRREHB-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.75
Rot. Bonds12

About 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene

2,4-dimethoxy-1-(non-8-enoxymethyl)benzene (PubChem CID 155664425) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-(non-8-enoxymethyl)benzene
PubChem CID155664425
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name2,4-dimethoxy-1-(non-8-enoxymethyl)benzene
SMILESC=CCCCCCCCOCc1ccc(OC)cc1OC
InChIInChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-13-21-15-16-11-12-17(19-2)14-18(16)20-3/h4,11-12,14H,1,5-10,13,15H2,2-3H3
InChIKeyJQBCVZHNFRREHB-UHFFFAOYSA-N
XLogP4.75
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 107007477
4-bromo-1-methoxy-2-(pent-4-enoxymethyl)benzene
CID 79112669
N-[(2-hept-6-enoxy-4-methoxyphenyl)methyl]propan-1-amine
CID 107006122
2-chloro-7-methoxy-3-(pent-4-enoxymethyl)quinoline
CID 79114213
2-[2-[2-[2-[(2,5-dimethoxyphenyl)methoxy]ethoxy]ethoxy]ethoxymethyl]-1,4-dimethoxybenzene
CID 15109386
N-[(2,4-dimethoxyphenyl)methyl]prop-2-en-1-amine
CID 4722371
1-(2,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012801
2,4-dimethoxy-1-prop-2-enylbenzene;pentan-3-one
CID 175249444
(3R)-1-[(4-methoxyphenyl)methoxy]non-8-en-3-amine
CID 71480450
3-(but-3-enoxymethyl)-4-methoxybenzaldehyde
CID 62031393
(1S)-1-(4-methoxy-2-pent-4-enoxyphenyl)ethanamine
CID 82000062
5-methoxy-2-prop-2-enylphenol
CID 6424515

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene?
The IUPAC name of 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene (CID 155664425) is 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene.
What is the SMILES notation for 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene?
The canonical SMILES for 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene is C=CCCCCCCCOCc1ccc(OC)cc1OC.
What is the InChIKey of 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene?
The InChIKey is JQBCVZHNFRREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-4-5-6-7-8-9-10-13-21-15-16-11-12-17(19-2)14-18(16)20-3/h4,11-12,14H,1,5-10,13,15H2,2-3H3.
What are the key properties of 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene?
2,4-dimethoxy-1-(non-8-enoxymethyl)benzene has a molecular weight of 292.42 g/mol, XLogP of 4.75, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-(non-8-enoxymethyl)benzene is sourced from PubChem (CID 155664425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).