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

C14H20O2 — CID 24770791

IUPAC1-butoxy-4-methoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OCCCC
InChIInChI=1S/C14H20O2/c1-4-6-10-16-14-9-8-13(15-3)11-12(14)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3
InChIKeyAXDLEHLSXAXGHU-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.60
Rot. Bonds7

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

1-butoxy-4-methoxy-2-prop-2-enylbenzene (PubChem CID 24770791) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-butoxy-4-methoxy-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-butoxy-4-methoxy-2-prop-2-enylbenzene
PubChem CID24770791
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-butoxy-4-methoxy-2-prop-2-enylbenzene
SMILESC=CCc1cc(OC)ccc1OCCCC
InChIInChI=1S/C14H20O2/c1-4-6-10-16-14-9-8-13(15-3)11-12(14)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3
InChIKeyAXDLEHLSXAXGHU-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

Butylated Hydroxyanisole
CID 8456
Tocotrienol
CID 9929901
3-Phenoxybenzyl alcohol
CID 26295
Carvacryl acetate
CID 80792
3-Methoxytoluene
CID 7530
Thymyl methyl ether
CID 14104
Thymol acetate
CID 68252
2-Methylanisole
CID 33637
Carvacryl methyl ether
CID 80790
Dihydrobenzofuran
CID 10329
2,6-Di-tert-butyl-4-methoxyphenol
CID 10269
o-CRESYL GLYCIDYL ETHER
CID 16640

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-methoxy-2-prop-2-enylbenzene?
The IUPAC name of 1-butoxy-4-methoxy-2-prop-2-enylbenzene (CID 24770791) is 1-butoxy-4-methoxy-2-prop-2-enylbenzene.
What is the SMILES notation for 1-butoxy-4-methoxy-2-prop-2-enylbenzene?
The canonical SMILES for 1-butoxy-4-methoxy-2-prop-2-enylbenzene is C=CCc1cc(OC)ccc1OCCCC.
What is the InChIKey of 1-butoxy-4-methoxy-2-prop-2-enylbenzene?
The InChIKey is AXDLEHLSXAXGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-6-10-16-14-9-8-13(15-3)11-12(14)7-5-2/h5,8-9,11H,2,4,6-7,10H2,1,3H3.
What are the key properties of 1-butoxy-4-methoxy-2-prop-2-enylbenzene?
1-butoxy-4-methoxy-2-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-4-methoxy-2-prop-2-enylbenzene is sourced from PubChem (CID 24770791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).