1-butoxy-2-methoxy-4-prop-2-enylbenzene

C14H20O2 — CID 3019586

IUPAC1-butoxy-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCC)c(OC)c1
InChIInChI=1S/C14H20O2/c1-4-6-10-16-13-9-8-12(7-5-2)11-14(13)15-3/h5,8-9,11H,2,4,6-7,10H2,1,3H3
InChIKeyUHKLUPWESCIICB-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.60
Rot. Bonds7

About 1-butoxy-2-methoxy-4-prop-2-enylbenzene

1-butoxy-2-methoxy-4-prop-2-enylbenzene (PubChem CID 3019586) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-butoxy-2-methoxy-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-butoxy-2-methoxy-4-prop-2-enylbenzene
PubChem CID3019586
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-butoxy-2-methoxy-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OCCCC)c(OC)c1
InChIInChI=1S/C14H20O2/c1-4-6-10-16-13-9-8-12(7-5-2)11-14(13)15-3/h5,8-9,11H,2,4,6-7,10H2,1,3H3
InChIKeyUHKLUPWESCIICB-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'}

Analyze 1-butoxy-2-methoxy-4-prop-2-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
potassium;hydride;2-methoxy-4-prop-2-enyl-1-propoxybenzene
CID 175484509
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
N-ethyl-2-(2-methoxy-4-prop-2-enylphenoxy)ethanamine
CID 6460350
1,2-dimethoxy-4-prop-2-enylbenzene;ethane
CID 143927430
2-[3-(2-methoxy-4-prop-2-enylphenoxy)propoxy]naphthalene
CID 2283204
1-[4-(2-bromophenoxy)butoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2899492
2-(2-methoxy-4-prop-2-enylphenoxy)ethyl-bis(prop-2-enyl)azanium
CID 7442982
1-[3-(2-chloro-4-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2282941
1-[3-(4-chloro-2-methylphenoxy)propoxy]-2-methoxy-4-prop-2-enylbenzene
CID 2284434
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2-methoxy-4-prop-2-enylbenzene?
The IUPAC name of 1-butoxy-2-methoxy-4-prop-2-enylbenzene (CID 3019586) is 1-butoxy-2-methoxy-4-prop-2-enylbenzene.
What is the SMILES notation for 1-butoxy-2-methoxy-4-prop-2-enylbenzene?
The canonical SMILES for 1-butoxy-2-methoxy-4-prop-2-enylbenzene is C=CCc1ccc(OCCCC)c(OC)c1.
What is the InChIKey of 1-butoxy-2-methoxy-4-prop-2-enylbenzene?
The InChIKey is UHKLUPWESCIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-6-10-16-13-9-8-12(7-5-2)11-14(13)15-3/h5,8-9,11H,2,4,6-7,10H2,1,3H3.
What are the key properties of 1-butoxy-2-methoxy-4-prop-2-enylbenzene?
1-butoxy-2-methoxy-4-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 1-butoxy-2-methoxy-4-prop-2-enylbenzene is sourced from PubChem (CID 3019586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).