1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene

C19H24O — CID 173290685

IUPAC1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene
SMILESCCCC(c1ccc(CC)cc1)c1cccc(OC)c1
InChIInChI=1S/C19H24O/c1-4-7-19(16-12-10-15(5-2)11-13-16)17-8-6-9-18(14-17)20-3/h6,8-14,19H,4-5,7H2,1-3H3
InChIKeyMQWNYTKNLYRBHG-UHFFFAOYSA-N
MW268.40 g/mol
LogP5.19
Rot. Bonds6

About 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene

1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene (PubChem CID 173290685) has the molecular formula C19H24O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene
PubChem CID173290685
Molecular FormulaC19H24O
Molecular Weight268.40 g/mol
Exact Mass268.18
IUPAC Name1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene
SMILESCCCC(c1ccc(CC)cc1)c1cccc(OC)c1
InChIInChI=1S/C19H24O/c1-4-7-19(16-12-10-15(5-2)11-13-16)17-8-6-9-18(14-17)20-3/h6,8-14,19H,4-5,7H2,1-3H3
InChIKeyMQWNYTKNLYRBHG-UHFFFAOYSA-N
XLogP5.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylphenyl)-N-[(1S)-1-(3-methoxyphenyl)ethyl]ethanamine
CID 81353955
1-(3-bromo-1-phenylpropyl)-3-methoxybenzene
CID 22325018
ethane;3-(3-methoxyphenyl)-3-phenylpropan-1-ol
CID 91197048
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
(3-methoxyphenyl)-(4-propylphenyl)methanol
CID 61087387
cumene;ethane;1-ethyl-3-methoxybenzene
CID 171630693
1-(3-bromohexan-2-yl)-3-methoxybenzene
CID 83051986
1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
4-(4-hydroxyphenyl)-4-(3-methoxyphenyl)butanal
CID 88838673
1,3-di(propan-2-yl)benzene;1-ethyl-3-methoxybenzene
CID 178169906
2-(4-chlorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023304
N-[1-(3-methoxyphenyl)ethyl]-1-phenylbutan-1-amine
CID 43720331

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene?
The IUPAC name of 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene (CID 173290685) is 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene.
What is the SMILES notation for 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene?
The canonical SMILES for 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene is CCCC(c1ccc(CC)cc1)c1cccc(OC)c1.
What is the InChIKey of 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene?
The InChIKey is MQWNYTKNLYRBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O/c1-4-7-19(16-12-10-15(5-2)11-13-16)17-8-6-9-18(14-17)20-3/h6,8-14,19H,4-5,7H2,1-3H3.
What are the key properties of 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene?
1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene has a molecular weight of 268.40 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(3-methoxyphenyl)butyl]benzene is sourced from PubChem (CID 173290685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).