1-butoxy-4-pentan-3-yloxybenzene

C15H24O2 — CID 90865394

IUPAC1-butoxy-4-pentan-3-yloxybenzene
SMILESCCCCOc1ccc(OC(CC)CC)cc1
InChIInChI=1S/C15H24O2/c1-4-7-12-16-14-8-10-15(11-9-14)17-13(5-2)6-3/h8-11,13H,4-7,12H2,1-3H3
InChIKeyLITWNHQGBKGUJL-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.43
Rot. Bonds8

About 1-butoxy-4-pentan-3-yloxybenzene

1-butoxy-4-pentan-3-yloxybenzene (PubChem CID 90865394) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-butoxy-4-pentan-3-yloxybenzene.

Molecular Properties

Compound Name1-butoxy-4-pentan-3-yloxybenzene
PubChem CID90865394
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-butoxy-4-pentan-3-yloxybenzene
SMILESCCCCOc1ccc(OC(CC)CC)cc1
InChIInChI=1S/C15H24O2/c1-4-7-12-16-14-8-10-15(11-9-14)17-13(5-2)6-3/h8-11,13H,4-7,12H2,1-3H3
InChIKeyLITWNHQGBKGUJL-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
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-bromoethoxy)-4-pentan-3-yloxybenzene
CID 15239123
1-butan-2-yloxy-4-decoxybenzene
CID 14833183
1,4-dipentoxybenzene
CID 18314717
2-(4-propoxyphenoxy)-N-propylbutan-1-amine
CID 55076769
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
3-(4-propoxyphenoxy)pentanethioamide
CID 43368833
O-(4-pentan-3-yloxyphenyl)hydroxylamine
CID 163751792
(4-hexan-3-yloxyphenyl) 4-octoxybenzoate
CID 57004302
1-propan-2-yloxy-4-propoxybenzene
CID 57276091
1-butan-2-yloxy-4-[2-(4-butoxyphenyl)propan-2-yl]benzene
CID 70880864
1-(4-butoxyphenyl)propan-1-ol
CID 19979001

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-4-pentan-3-yloxybenzene?
The IUPAC name of 1-butoxy-4-pentan-3-yloxybenzene (CID 90865394) is 1-butoxy-4-pentan-3-yloxybenzene.
What is the SMILES notation for 1-butoxy-4-pentan-3-yloxybenzene?
The canonical SMILES for 1-butoxy-4-pentan-3-yloxybenzene is CCCCOc1ccc(OC(CC)CC)cc1.
What is the InChIKey of 1-butoxy-4-pentan-3-yloxybenzene?
The InChIKey is LITWNHQGBKGUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-7-12-16-14-8-10-15(11-9-14)17-13(5-2)6-3/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 1-butoxy-4-pentan-3-yloxybenzene?
1-butoxy-4-pentan-3-yloxybenzene has a molecular weight of 236.35 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-4-pentan-3-yloxybenzene is sourced from PubChem (CID 90865394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).