1-butyl-4-methoxy-2,5-dimethylbenzene

C13H20O — CID 142173395

IUPAC1-butyl-4-methoxy-2,5-dimethylbenzene
SMILESCCCCc1cc(C)c(OC)cc1C
InChIInChI=1S/C13H20O/c1-5-6-7-12-8-11(3)13(14-4)9-10(12)2/h8-9H,5-7H2,1-4H3
InChIKeyXACPDGMRXNBTNL-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.65
Rot. Bonds4

About 1-butyl-4-methoxy-2,5-dimethylbenzene

1-butyl-4-methoxy-2,5-dimethylbenzene (PubChem CID 142173395) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 1-butyl-4-methoxy-2,5-dimethylbenzene.

Molecular Properties

Compound Name1-butyl-4-methoxy-2,5-dimethylbenzene
PubChem CID142173395
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name1-butyl-4-methoxy-2,5-dimethylbenzene
SMILESCCCCc1cc(C)c(OC)cc1C
InChIInChI=1S/C13H20O/c1-5-6-7-12-8-11(3)13(14-4)9-10(12)2/h8-9H,5-7H2,1-4H3
InChIKeyXACPDGMRXNBTNL-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)heptan-4-amine
CID 83927771
6-(4-methoxy-2,5-dimethylphenyl)hexan-1-amine
CID 96595185
1-hept-3-ynyl-4-methoxy-2,5-dimethylbenzene
CID 83927830
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
CID 98016089
1-butoxy-4-methoxy-2,5-dimethylbenzene
CID 58371109
N-[3-(4-methoxy-2,5-dimethylphenyl)propyl]cyclopentanamine
CID 98017163
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]butanamide
CID 110788062
1-(3-chloropropyl)-2,5-dimethoxy-4-methylbenzene
CID 116926660
(2,4-dibutyl-5-methylphenyl) dihydrogen phosphite
CID 151672758

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methoxy-2,5-dimethylbenzene?
The IUPAC name of 1-butyl-4-methoxy-2,5-dimethylbenzene (CID 142173395) is 1-butyl-4-methoxy-2,5-dimethylbenzene.
What is the SMILES notation for 1-butyl-4-methoxy-2,5-dimethylbenzene?
The canonical SMILES for 1-butyl-4-methoxy-2,5-dimethylbenzene is CCCCc1cc(C)c(OC)cc1C.
What is the InChIKey of 1-butyl-4-methoxy-2,5-dimethylbenzene?
The InChIKey is XACPDGMRXNBTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-5-6-7-12-8-11(3)13(14-4)9-10(12)2/h8-9H,5-7H2,1-4H3.
What are the key properties of 1-butyl-4-methoxy-2,5-dimethylbenzene?
1-butyl-4-methoxy-2,5-dimethylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.65, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methoxy-2,5-dimethylbenzene is sourced from PubChem (CID 142173395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).