1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene

C14H20O — CID 163584617

IUPAC1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1CCC(C)OC
InChIInChI=1S/C14H20O/c1-11(2)14-8-6-5-7-13(14)10-9-12(3)15-4/h5-8,12H,1,9-10H2,2-4H3
InChIKeyGKLRXYXANURKHE-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.69
Rot. Bonds5

About 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene

1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene (PubChem CID 163584617) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene
PubChem CID163584617
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccccc1CCC(C)OC
InChIInChI=1S/C14H20O/c1-11(2)14-8-6-5-7-13(14)10-9-12(3)15-4/h5-8,12H,1,9-10H2,2-4H3
InChIKeyGKLRXYXANURKHE-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylpentyl)-2-prop-1-en-2-ylbenzene
CID 177208667
1-(4-chlorohexyl)-2-prop-1-en-2-ylbenzene
CID 20523347
1-pent-4-enyl-2-prop-1-en-2-ylbenzene
CID 143278192
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096
1-benzyl-2-prop-1-en-2-ylbenzene
CID 12535340
2-[4-(3-methoxybutyl)phenyl]ethanamine
CID 117110832
1,2-bis(prop-1-en-2-yl)benzene;propane
CID 142274191
N,N-dimethyl-1-(2-prop-1-en-2-ylphenyl)methanamine;ethane
CID 142073226
1-O-[(3S)-3-methoxybutyl] 2-O-[(3R)-3-methoxybutyl] benzene-1,2-dicarboxylate
CID 92537941
lithium 1,2-bis(prop-1-en-2-yl)benzene
CID 22717015
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
2-propan-2-yl-1,3-bis(prop-1-en-2-yl)benzene
CID 141209236

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene (CID 163584617) is 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene is C=C(C)c1ccccc1CCC(C)OC.
What is the InChIKey of 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene?
The InChIKey is GKLRXYXANURKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-11(2)14-8-6-5-7-13(14)10-9-12(3)15-4/h5-8,12H,1,9-10H2,2-4H3.
What are the key properties of 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene?
1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene has a molecular weight of 204.31 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxybutyl)-2-prop-1-en-2-ylbenzene is sourced from PubChem (CID 163584617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).