2-ethyl-4-hexoxy-1-methylbenzene

C15H24O — CID 143189460

IUPAC2-ethyl-4-hexoxy-1-methylbenzene
SMILESCCCCCCOc1ccc(C)c(CC)c1
InChIInChI=1S/C15H24O/c1-4-6-7-8-11-16-15-10-9-13(3)14(5-2)12-15/h9-10,12H,4-8,11H2,1-3H3
InChIKeySGPGGBLSGZPFAV-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.52
Rot. Bonds7

About 2-ethyl-4-hexoxy-1-methylbenzene

2-ethyl-4-hexoxy-1-methylbenzene (PubChem CID 143189460) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-ethyl-4-hexoxy-1-methylbenzene.

Molecular Properties

Compound Name2-ethyl-4-hexoxy-1-methylbenzene
PubChem CID143189460
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-ethyl-4-hexoxy-1-methylbenzene
SMILESCCCCCCOc1ccc(C)c(CC)c1
InChIInChI=1S/C15H24O/c1-4-6-7-8-11-16-15-10-9-13(3)14(5-2)12-15/h9-10,12H,4-8,11H2,1-3H3
InChIKeySGPGGBLSGZPFAV-UHFFFAOYSA-N
XLogP4.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.52
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

2-fluoro-4-hexoxy-1-methylbenzene
CID 58718900
4-[2-(2-hexoxyethoxy)ethoxy]-1,2-dimethylbenzene
CID 129113813
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
5-hexoxy-2-methylbenzoic acid;hydrochloride
CID 129135578
2-methyl-4-nonoxyaniline
CID 43128997
4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol
CID 175396015
1,4-dipentoxybenzene
CID 18314717
1,3-dihexadecoxybenzene
CID 12686834
2-butyl-4-dodecoxyphenol
CID 70607238
2-methyl-4-octadecoxybenzenesulfonic acid
CID 87684045
4-[4-(3,4-dimethylphenoxy)butoxy]-1,2-dimethylbenzene
CID 2227623

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hexoxy-1-methylbenzene?
The IUPAC name of 2-ethyl-4-hexoxy-1-methylbenzene (CID 143189460) is 2-ethyl-4-hexoxy-1-methylbenzene.
What is the SMILES notation for 2-ethyl-4-hexoxy-1-methylbenzene?
The canonical SMILES for 2-ethyl-4-hexoxy-1-methylbenzene is CCCCCCOc1ccc(C)c(CC)c1.
What is the InChIKey of 2-ethyl-4-hexoxy-1-methylbenzene?
The InChIKey is SGPGGBLSGZPFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-4-6-7-8-11-16-15-10-9-13(3)14(5-2)12-15/h9-10,12H,4-8,11H2,1-3H3.
What are the key properties of 2-ethyl-4-hexoxy-1-methylbenzene?
2-ethyl-4-hexoxy-1-methylbenzene has a molecular weight of 220.36 g/mol, XLogP of 4.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hexoxy-1-methylbenzene is sourced from PubChem (CID 143189460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).