4-(butoxymethyl)-1,2-dimethylbenzene

C13H20O — CID 57131464

IUPAC4-(butoxymethyl)-1,2-dimethylbenzene
SMILESCCCCOCc1ccc(C)c(C)c1
InChIInChI=1S/C13H20O/c1-4-5-8-14-10-13-7-6-11(2)12(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyLCVDMWDDUSCDSX-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.62
Rot. Bonds5

About 4-(butoxymethyl)-1,2-dimethylbenzene

4-(butoxymethyl)-1,2-dimethylbenzene (PubChem CID 57131464) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(butoxymethyl)-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-(butoxymethyl)-1,2-dimethylbenzene
PubChem CID57131464
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(butoxymethyl)-1,2-dimethylbenzene
SMILESCCCCOCc1ccc(C)c(C)c1
InChIInChI=1S/C13H20O/c1-4-5-8-14-10-13-7-6-11(2)12(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3
InChIKeyLCVDMWDDUSCDSX-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 58718918
1-butoxybutane;1,2,4-trimethylbenzene
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CID 175330129
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
1-methyl-4-(octoxymethyl)benzene
CID 86156710
butoxymethylbenzene;ethane
CID 145341806
1,2-dimethyl-4-octylbenzene
CID 14044616
1-(butoxymethyl)-4-methylsulfanylbenzene
CID 54189278
(2R)-1-[(3,4-dimethylphenyl)methoxy]butan-2-amine
CID 97057923
1-(hexoxymethyl)-3-methylbenzene
CID 91805813
2-[4-(2-butoxyethoxymethyl)phenyl]-N-methylethanamine
CID 105349652

Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-1,2-dimethylbenzene?
The IUPAC name of 4-(butoxymethyl)-1,2-dimethylbenzene (CID 57131464) is 4-(butoxymethyl)-1,2-dimethylbenzene.
What is the SMILES notation for 4-(butoxymethyl)-1,2-dimethylbenzene?
The canonical SMILES for 4-(butoxymethyl)-1,2-dimethylbenzene is CCCCOCc1ccc(C)c(C)c1.
What is the InChIKey of 4-(butoxymethyl)-1,2-dimethylbenzene?
The InChIKey is LCVDMWDDUSCDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-4-5-8-14-10-13-7-6-11(2)12(3)9-13/h6-7,9H,4-5,8,10H2,1-3H3.
What are the key properties of 4-(butoxymethyl)-1,2-dimethylbenzene?
4-(butoxymethyl)-1,2-dimethylbenzene has a molecular weight of 192.30 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-1,2-dimethylbenzene is sourced from PubChem (CID 57131464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).