1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene

C14H20O3 — CID 141497622

IUPAC1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene
SMILESC=CCc1cc(OC)c(OCCC)c(OC)c1
InChIInChI=1S/C14H20O3/c1-5-7-11-9-12(15-3)14(17-8-6-2)13(10-11)16-4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyOMSRYIPNLPLUND-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.22
Rot. Bonds7

About 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene

1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene (PubChem CID 141497622) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene
PubChem CID141497622
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene
SMILESC=CCc1cc(OC)c(OCCC)c(OC)c1
InChIInChI=1S/C14H20O3/c1-5-7-11-9-12(15-3)14(17-8-6-2)13(10-11)16-4/h5,9-10H,1,6-8H2,2-4H3
InChIKeyOMSRYIPNLPLUND-UHFFFAOYSA-N
XLogP3.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
1,2-dimethoxy-3-(2-methoxy-4-prop-2-enylphenoxy)-5-prop-2-enylbenzene
CID 122178034
1-(difluoromethoxy)-2,3-dimethoxy-5-prop-2-enylbenzene
CID 118254959
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
5-ethenyl-1,2,3-tripropoxybenzene
CID 102253106
2,6-dimethoxy-4-prop-2-enylbenzoic acid
CID 175319982
N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 60888312
5-ethenyl-2-[6-(4-ethenyl-2,6-dimethoxyphenoxy)hexoxy]-1,3-dimethoxybenzene
CID 86096018
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene?
The IUPAC name of 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene (CID 141497622) is 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene.
What is the SMILES notation for 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene?
The canonical SMILES for 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene is C=CCc1cc(OC)c(OCCC)c(OC)c1.
What is the InChIKey of 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene?
The InChIKey is OMSRYIPNLPLUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-7-11-9-12(15-3)14(17-8-6-2)13(10-11)16-4/h5,9-10H,1,6-8H2,2-4H3.
What are the key properties of 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene?
1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene has a molecular weight of 236.31 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethoxy-5-prop-2-enyl-2-propoxybenzene is sourced from PubChem (CID 141497622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).