1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene

C14H20O4 — CID 10848413

IUPAC1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene
SMILESC=C(C)COCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H20O4/c1-10(2)8-18-9-12-13(16-4)6-11(15-3)7-14(12)17-5/h6-7H,1,8-9H2,2-5H3
InChIKeyOBQSQUMKBCWGSI-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.81
Rot. Bonds7

About 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene

1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene (PubChem CID 10848413) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene
PubChem CID10848413
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene
SMILESC=C(C)COCc1c(OC)cc(OC)cc1OC
InChIInChI=1S/C14H20O4/c1-10(2)8-18-9-12-13(16-4)6-11(15-3)7-14(12)17-5/h6-7H,1,8-9H2,2-5H3
InChIKeyOBQSQUMKBCWGSI-UHFFFAOYSA-N
XLogP2.81
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methylprop-2-enoxy)-N-[(2,4,6-trimethoxyphenyl)methyl]ethanamine
CID 115699243
2-(iodomethyl)-1,3,5-trimethoxybenzene
CID 10946751
(2,4,6-trimethoxyphenyl)methyl methanesulfonate
CID 102620850
1-iodo-4-methoxy-2-(2-methylprop-2-enoxy)benzene
CID 166445394
[2,4-dimethoxy-6-(methoxymethyl)phenyl]methanamine
CID 117301737
1,5-dimethoxy-2-(methoxymethyl)-3-methylbenzene
CID 116932273
2-amino-3-(2,4,6-trimethoxyphenyl)propan-1-ol;hydrochloride
CID 170891817
(2,4,6-trimethoxyphenyl)methylsulfanylmethanol
CID 129121161
(1S)-1-[4-methoxy-2-(2-methylprop-2-enoxy)phenyl]ethanol
CID 82001096
[(E)-2-methyl-4-(2,4,6-trimethoxyphenyl)but-2-enyl] acetate
CID 67666062
4-[2-(2,4,6-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 44611838
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene?
The IUPAC name of 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene (CID 10848413) is 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene.
What is the SMILES notation for 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene?
The canonical SMILES for 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene is C=C(C)COCc1c(OC)cc(OC)cc1OC.
What is the InChIKey of 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene?
The InChIKey is OBQSQUMKBCWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(2)8-18-9-12-13(16-4)6-11(15-3)7-14(12)17-5/h6-7H,1,8-9H2,2-5H3.
What are the key properties of 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene?
1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene has a molecular weight of 252.31 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethoxy-2-(2-methylprop-2-enoxymethyl)benzene is sourced from PubChem (CID 10848413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).