1-butyl-4-(1-methoxypropyl)benzene

C14H22O — CID 123986440

IUPAC1-butyl-4-(1-methoxypropyl)benzene
SMILESCCCCc1ccc(C(CC)OC)cc1
InChIInChI=1S/C14H22O/c1-4-6-7-12-8-10-13(11-9-12)14(5-2)15-3/h8-11,14H,4-7H2,1-3H3
InChIKeyMBHIGTIYHWXZJM-UHFFFAOYSA-N
MW206.33 g/mol
LogP4.13
Rot. Bonds6

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

1-butyl-4-(1-methoxypropyl)benzene (PubChem CID 123986440) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-butyl-4-(1-methoxypropyl)benzene.

Molecular Properties

Compound Name1-butyl-4-(1-methoxypropyl)benzene
PubChem CID123986440
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name1-butyl-4-(1-methoxypropyl)benzene
SMILESCCCCc1ccc(C(CC)OC)cc1
InChIInChI=1S/C14H22O/c1-4-6-7-12-8-10-13(11-9-12)14(5-2)15-3/h8-11,14H,4-7H2,1-3H3
InChIKeyMBHIGTIYHWXZJM-UHFFFAOYSA-N
XLogP4.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-methoxypropyl)-4-octylbenzene
CID 123387673
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoro-1-methoxynonyl)benzene
CID 156764892
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
1-(1-bromo-2-ethylbutyl)-4-butylbenzene
CID 55199725
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
N-[1-(4-butylphenyl)ethyl]-2,2-dimethoxyethanamine
CID 54922154
1-[bromo-(4-butylphenyl)methyl]-4-propylbenzene
CID 139632496
1-(1-bromoheptyl)-4-butylbenzene
CID 114753581
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(1-methoxypropyl)benzene?
The IUPAC name of 1-butyl-4-(1-methoxypropyl)benzene (CID 123986440) is 1-butyl-4-(1-methoxypropyl)benzene.
What is the SMILES notation for 1-butyl-4-(1-methoxypropyl)benzene?
The canonical SMILES for 1-butyl-4-(1-methoxypropyl)benzene is CCCCc1ccc(C(CC)OC)cc1.
What is the InChIKey of 1-butyl-4-(1-methoxypropyl)benzene?
The InChIKey is MBHIGTIYHWXZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-4-6-7-12-8-10-13(11-9-12)14(5-2)15-3/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 1-butyl-4-(1-methoxypropyl)benzene?
1-butyl-4-(1-methoxypropyl)benzene has a molecular weight of 206.33 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(1-methoxypropyl)benzene is sourced from PubChem (CID 123986440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).