1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene

C15H22O2 — CID 24770733

IUPAC1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCCC(C)C)ccc1OC
InChIInChI=1S/C15H22O2/c1-5-6-13-11-14(7-8-15(13)16-4)17-10-9-12(2)3/h5,7-8,11-12H,1,6,9-10H2,2-4H3
InChIKeyRRWCVGSPAFYEOO-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.85
Rot. Bonds7

About 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene

1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene (PubChem CID 24770733) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene.

Molecular Properties

Compound Name1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene
PubChem CID24770733
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene
SMILESC=CCc1cc(OCCC(C)C)ccc1OC
InChIInChI=1S/C15H22O2/c1-5-6-13-11-14(7-8-15(13)16-4)17-10-9-12(2)3/h5,7-8,11-12H,1,6,9-10H2,2-4H3
InChIKeyRRWCVGSPAFYEOO-UHFFFAOYSA-N
XLogP3.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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
o-CRESYL GLYCIDYL ETHER
CID 16640
Hthq
CID 119193

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene?
The IUPAC name of 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene (CID 24770733) is 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene.
What is the SMILES notation for 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene?
The canonical SMILES for 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene is C=CCc1cc(OCCC(C)C)ccc1OC.
What is the InChIKey of 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene?
The InChIKey is RRWCVGSPAFYEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-5-6-13-11-14(7-8-15(13)16-4)17-10-9-12(2)3/h5,7-8,11-12H,1,6,9-10H2,2-4H3.
What are the key properties of 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene?
1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene has a molecular weight of 234.34 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-(3-methylbutoxy)-2-prop-2-enylbenzene is sourced from PubChem (CID 24770733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).