1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene

C15H24O2 — CID 134183971

IUPAC1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
SMILESCCCc1ccc(OCCOCC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-4-5-14-6-8-15(9-7-14)17-11-10-16-12-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyLNFMKNKNXCQDRQ-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.69
Rot. Bonds8

About 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene

1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene (PubChem CID 134183971) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene.

Molecular Properties

Compound Name1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
PubChem CID134183971
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
SMILESCCCc1ccc(OCCOCC(C)C)cc1
InChIInChI=1S/C15H24O2/c1-4-5-14-6-8-15(9-7-14)17-11-10-16-12-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyLNFMKNKNXCQDRQ-UHFFFAOYSA-N
XLogP3.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.69
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-(2-methylpropoxy)ethoxy]-4-(2-methylpropyl)benzene
CID 134169966
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
CID 153379110
CID 153379110
1-nonoxy-4-propylbenzene
CID 118632119
1-butyl-4-(2-propoxyethoxy)benzene
CID 118150005
potassium trifluoro-[4-[2-(2-methylpropoxy)ethoxy]phenyl]boranuide
CID 106454185
2-[4-[2-(2-methylpropoxy)ethoxy]phenyl]ethanimidamide
CID 106453253
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
1-(2-ethoxyethyl)-4-[2-[2-[4-(2-ethoxyethyl)phenoxy]ethoxy]ethoxy]benzene
CID 70366041
N-[2-(4-propylphenoxy)ethyl]butan-2-amine
CID 62584206
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene?
The IUPAC name of 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene (CID 134183971) is 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene.
What is the SMILES notation for 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene?
The canonical SMILES for 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene is CCCc1ccc(OCCOCC(C)C)cc1.
What is the InChIKey of 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene?
The InChIKey is LNFMKNKNXCQDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-14-6-8-15(9-7-14)17-11-10-16-12-13(2)3/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene?
1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene has a molecular weight of 236.35 g/mol, XLogP of 3.69, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene is sourced from PubChem (CID 134183971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).