1-butyl-4-(1-methoxyethyl)benzene

C13H20O — CID 143934734

IUPAC1-butyl-4-(1-methoxyethyl)benzene
SMILESCCCCc1ccc(C(C)OC)cc1
InChIInChI=1S/C13H20O/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-3/h7-11H,4-6H2,1-3H3
InChIKeyMATXGHAVOFZCIP-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.74
Rot. Bonds5

About 1-butyl-4-(1-methoxyethyl)benzene

1-butyl-4-(1-methoxyethyl)benzene (PubChem CID 143934734) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-butyl-4-(1-methoxyethyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(1-methoxyethyl)benzene
PubChem CID143934734
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-butyl-4-(1-methoxyethyl)benzene
SMILESCCCCc1ccc(C(C)OC)cc1
InChIInChI=1S/C13H20O/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-3/h7-11H,4-6H2,1-3H3
InChIKeyMATXGHAVOFZCIP-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-butyl-4-(1-methoxypropyl)benzene
CID 123986440
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
1-(1-methoxypropyl)-4-octylbenzene
CID 123387673
1-(1-bromo-4-methylpentyl)-4-butylbenzene
CID 55199914
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
4-amino-N-[1-(4-butylphenyl)-2-methylpropyl]-3-methoxybutanamide;hydrochloride
CID 120587327
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1-methoxyethyl)benzene?
The IUPAC name of 1-butyl-4-(1-methoxyethyl)benzene (CID 143934734) is 1-butyl-4-(1-methoxyethyl)benzene.
What is the SMILES notation for 1-butyl-4-(1-methoxyethyl)benzene?
The canonical SMILES for 1-butyl-4-(1-methoxyethyl)benzene is CCCCc1ccc(C(C)OC)cc1.
What is the InChIKey of 1-butyl-4-(1-methoxyethyl)benzene?
The InChIKey is MATXGHAVOFZCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-6-12-7-9-13(10-8-12)11(2)14-3/h7-11H,4-6H2,1-3H3.
What are the key properties of 1-butyl-4-(1-methoxyethyl)benzene?
1-butyl-4-(1-methoxyethyl)benzene has a molecular weight of 192.30 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-methoxyethyl)benzene is sourced from PubChem (CID 143934734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).