1-butan-2-yl-4-(1-butoxyethoxy)benzene

C16H26O2 — CID 18739256

IUPAC1-butan-2-yl-4-(1-butoxyethoxy)benzene
SMILESCCCCOC(C)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H26O2/c1-5-7-12-17-14(4)18-16-10-8-15(9-11-16)13(3)6-2/h8-11,13-14H,5-7,12H2,1-4H3
InChIKeyBXOVOTZTLBPQPD-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.74
Rot. Bonds8

About 1-butan-2-yl-4-(1-butoxyethoxy)benzene

1-butan-2-yl-4-(1-butoxyethoxy)benzene (PubChem CID 18739256) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-butan-2-yl-4-(1-butoxyethoxy)benzene.

Molecular Properties

Compound Name1-butan-2-yl-4-(1-butoxyethoxy)benzene
PubChem CID18739256
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-butan-2-yl-4-(1-butoxyethoxy)benzene
SMILESCCCCOC(C)Oc1ccc(C(C)CC)cc1
InChIInChI=1S/C16H26O2/c1-5-7-12-17-14(4)18-16-10-8-15(9-11-16)13(3)6-2/h8-11,13-14H,5-7,12H2,1-4H3
InChIKeyBXOVOTZTLBPQPD-UHFFFAOYSA-N
XLogP4.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-butan-2-yl-4-[1-[7-[1-(4-butan-2-ylphenoxy)ethoxy]heptoxy]ethoxy]benzene
CID 59687778
1-butan-2-yl-4-[1-(2-pentadecoxyethoxy)ethoxy]benzene
CID 58037077
1-butan-2-yl-4-[1-(4-phenylbutoxy)ethoxy]benzene
CID 21363315
1-butan-2-yl-4-[1-[2-(4-methylphenoxy)ethoxy]ethoxy]benzene
CID 90919923
1-(1-butoxyethoxy)-4-methylbenzene
CID 91451977
1-butan-2-yl-4-[1-[2-(2-pentylphenoxy)ethoxy]ethoxy]benzene
CID 59950376
1-butan-2-yl-4-[1-[2-(4-methoxyphenyl)ethoxy]ethoxy]benzene
CID 58079015
1-butan-2-yl-4-[1-[2-(4-pentan-3-ylphenyl)ethoxy]ethoxy]benzene
CID 145055463
1-[(2R)-butan-2-yl]-4-[1-(2-cyclohexylethoxy)ethoxy]benzene
CID 89233855
1-butan-2-yl-4-(2-methyl-1-propoxypropoxy)benzene
CID 58900963
1-butan-2-yl-4-propan-2-yloxybenzene
CID 18730967
methyl N-[2-[1-(4-butan-2-ylphenoxy)ethoxy]ethyl]carbamate
CID 123881424

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-(1-butoxyethoxy)benzene?
The IUPAC name of 1-butan-2-yl-4-(1-butoxyethoxy)benzene (CID 18739256) is 1-butan-2-yl-4-(1-butoxyethoxy)benzene.
What is the SMILES notation for 1-butan-2-yl-4-(1-butoxyethoxy)benzene?
The canonical SMILES for 1-butan-2-yl-4-(1-butoxyethoxy)benzene is CCCCOC(C)Oc1ccc(C(C)CC)cc1.
What is the InChIKey of 1-butan-2-yl-4-(1-butoxyethoxy)benzene?
The InChIKey is BXOVOTZTLBPQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-5-7-12-17-14(4)18-16-10-8-15(9-11-16)13(3)6-2/h8-11,13-14H,5-7,12H2,1-4H3.
What are the key properties of 1-butan-2-yl-4-(1-butoxyethoxy)benzene?
1-butan-2-yl-4-(1-butoxyethoxy)benzene has a molecular weight of 250.38 g/mol, XLogP of 4.74, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-(1-butoxyethoxy)benzene is sourced from PubChem (CID 18739256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).