2-butoxy-1-methoxy-3-prop-2-enylbenzene

C14H20O2 — CID 24770490

IUPAC2-butoxy-1-methoxy-3-prop-2-enylbenzene
SMILESC=CCc1cccc(OC)c1OCCCC
InChIInChI=1S/C14H20O2/c1-4-6-11-16-14-12(8-5-2)9-7-10-13(14)15-3/h5,7,9-10H,2,4,6,8,11H2,1,3H3
InChIKeyHJDZOPKFNBOPMM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.60
Rot. Bonds7

About 2-butoxy-1-methoxy-3-prop-2-enylbenzene

2-butoxy-1-methoxy-3-prop-2-enylbenzene (PubChem CID 24770490) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-butoxy-1-methoxy-3-prop-2-enylbenzene.

Molecular Properties

Compound Name2-butoxy-1-methoxy-3-prop-2-enylbenzene
PubChem CID24770490
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2-butoxy-1-methoxy-3-prop-2-enylbenzene
SMILESC=CCc1cccc(OC)c1OCCCC
InChIInChI=1S/C14H20O2/c1-4-6-11-16-14-12(8-5-2)9-7-10-13(14)15-3/h5,7,9-10H,2,4,6,8,11H2,1,3H3
InChIKeyHJDZOPKFNBOPMM-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-hydroxyethyl-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]azanium
CID 2300047
1-(bromomethyl)-2-decoxy-3-methoxybenzene
CID 63536547
1-(chloromethyl)-3-methoxy-2-nonoxybenzene
CID 43471649
(3-methoxy-2-nonoxyphenyl)methanol
CID 43471510
1-(chloromethyl)-2-decoxy-3-methoxybenzene
CID 63535867
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propyl]piperazine
CID 146681529
2-(3-methylbutoxy)-1-prop-2-enyl-3-propoxybenzene
CID 24770494
N-[(3-methoxy-2-pentoxyphenyl)methyl]-2-methylpropan-2-amine
CID 54847865
N-[(2-hexoxy-3-methoxyphenyl)methyl]hexan-1-amine
CID 54805393
N-[(3-methoxy-2-octoxyphenyl)methyl]propan-1-amine
CID 54804925
1-[3-(2-methoxy-6-prop-2-enylphenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 44522556
2-dodecoxy-1-methoxy-3-propoxybenzene
CID 142743634

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-1-methoxy-3-prop-2-enylbenzene?
The IUPAC name of 2-butoxy-1-methoxy-3-prop-2-enylbenzene (CID 24770490) is 2-butoxy-1-methoxy-3-prop-2-enylbenzene.
What is the SMILES notation for 2-butoxy-1-methoxy-3-prop-2-enylbenzene?
The canonical SMILES for 2-butoxy-1-methoxy-3-prop-2-enylbenzene is C=CCc1cccc(OC)c1OCCCC.
What is the InChIKey of 2-butoxy-1-methoxy-3-prop-2-enylbenzene?
The InChIKey is HJDZOPKFNBOPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-6-11-16-14-12(8-5-2)9-7-10-13(14)15-3/h5,7,9-10H,2,4,6,8,11H2,1,3H3.
What are the key properties of 2-butoxy-1-methoxy-3-prop-2-enylbenzene?
2-butoxy-1-methoxy-3-prop-2-enylbenzene has a molecular weight of 220.31 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-1-methoxy-3-prop-2-enylbenzene is sourced from PubChem (CID 24770490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).