1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene

C15H18O — CID 22555819

IUPAC1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
SMILESCCC(C1=CCC=C1)c1ccccc1OC
InChIInChI=1S/C15H18O/c1-3-13(12-8-4-5-9-12)14-10-6-7-11-15(14)16-2/h4,6-11,13H,3,5H2,1-2H3
InChIKeyYUXJWAQJVPZADG-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.08
Rot. Bonds4

About 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene

1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene (PubChem CID 22555819) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene.

Molecular Properties

Compound Name1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
PubChem CID22555819
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene
SMILESCCC(C1=CCC=C1)c1ccccc1OC
InChIInChI=1S/C15H18O/c1-3-13(12-8-4-5-9-12)14-10-6-7-11-15(14)16-2/h4,6-11,13H,3,5H2,1-2H3
InChIKeyYUXJWAQJVPZADG-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-cyclopenta-1,4-dien-1-ylbut-3-enyl)-2-methoxybenzene
CID 102102703
1-(1-cyclopenta-1,4-dien-1-ylethyl)-2-methoxybenzene
CID 22555570
N-benzyl-1-phenylmethanamine;1-methoxy-2-[1-(2-methoxyphenyl)propyl]benzene
CID 70442931
tris(2-methoxyphenyl)-[1-tris(2-methoxyphenyl)phosphaniumylpropyl]phosphanium;dihydrobromide
CID 88611570
(1R)-1-(2-methoxyphenyl)propan-1-amine;hydrochloride
CID 53484779
(1S)-1-(2-methoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)propyl]propan-1-amine
CID 102356404
3,3-bis(2-methoxyphenyl)propylphosphane
CID 57073175
N-[cyclopenta-1,4-dien-1-yl(phenyl)methyl]-N-ethylethanamine
CID 19033357
2-[amino-(2-methoxyphenyl)methyl]butanoic acid
CID 116945129
(1R)-N-ethyl-1-(2-methoxyphenyl)-N-methylethanamine
CID 118327627
1-hex-5-en-3-yl-2-methoxybenzene
CID 83929060
[(1S)-1-(2-methoxyphenyl)ethyl]phosphane
CID 130462203

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene?
The IUPAC name of 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene (CID 22555819) is 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene.
What is the SMILES notation for 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene?
The canonical SMILES for 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene is CCC(C1=CCC=C1)c1ccccc1OC.
What is the InChIKey of 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene?
The InChIKey is YUXJWAQJVPZADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-3-13(12-8-4-5-9-12)14-10-6-7-11-15(14)16-2/h4,6-11,13H,3,5H2,1-2H3.
What are the key properties of 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene?
1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene has a molecular weight of 214.31 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopenta-1,4-dien-1-ylpropyl)-2-methoxybenzene is sourced from PubChem (CID 22555819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).