1-butyl-2-methyl-4-(2-propoxyethoxy)benzene

C16H26O2 — CID 123147082

IUPAC1-butyl-2-methyl-4-(2-propoxyethoxy)benzene
SMILESCCCCc1ccc(OCCOCCC)cc1C
InChIInChI=1S/C16H26O2/c1-4-6-7-15-8-9-16(13-14(15)3)18-12-11-17-10-5-2/h8-9,13H,4-7,10-12H2,1-3H3
InChIKeyDUIJBCNKGWAJDL-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.14
Rot. Bonds9

About 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene

1-butyl-2-methyl-4-(2-propoxyethoxy)benzene (PubChem CID 123147082) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene.

Molecular Properties

Compound Name1-butyl-2-methyl-4-(2-propoxyethoxy)benzene
PubChem CID123147082
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-butyl-2-methyl-4-(2-propoxyethoxy)benzene
SMILESCCCCc1ccc(OCCOCCC)cc1C
InChIInChI=1S/C16H26O2/c1-4-6-7-15-8-9-16(13-14(15)3)18-12-11-17-10-5-2/h8-9,13H,4-7,10-12H2,1-3H3
InChIKeyDUIJBCNKGWAJDL-UHFFFAOYSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethyl-4-(2-propoxyethoxy)benzene
CID 155584258
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
1-(2-methyl-4-propoxyphenyl)heptan-4-one
CID 83936884
1,2-dimethyl-4-propoxybenzene
CID 23549082
1-methyl-4-[2-(2-propoxyethoxy)ethoxy]benzene
CID 58462382
4-[2-(3,4-dimethylphenoxy)ethoxy]-1,2-dimethylbenzene
CID 2195047
3-(4-ethoxy-2-methylphenyl)propane-1-thiol
CID 83798450
N-methyl-1-(2-methyl-4-propoxyphenyl)methanamine
CID 82553666
1-hexyl-4-(2-propoxyethoxy)benzene
CID 91210467
1-(2-butoxyethoxy)-4-methylbenzene
CID 64765824
methyl 3-(2-methyl-4-propoxyphenyl)propanoate
CID 82553676

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene?
The IUPAC name of 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene (CID 123147082) is 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene.
What is the SMILES notation for 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene?
The canonical SMILES for 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene is CCCCc1ccc(OCCOCCC)cc1C.
What is the InChIKey of 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene?
The InChIKey is DUIJBCNKGWAJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-6-7-15-8-9-16(13-14(15)3)18-12-11-17-10-5-2/h8-9,13H,4-7,10-12H2,1-3H3.
What are the key properties of 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene?
1-butyl-2-methyl-4-(2-propoxyethoxy)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-4-(2-propoxyethoxy)benzene is sourced from PubChem (CID 123147082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).