1-(4-butoxyphenyl)-2-methylbutan-1-ol

C15H24O2 — CID 105116550

IUPAC1-(4-butoxyphenyl)-2-methylbutan-1-ol
SMILESCCCCOc1ccc(C(O)C(C)CC)cc1
InChIInChI=1S/C15H24O2/c1-4-6-11-17-14-9-7-13(8-10-14)15(16)12(3)5-2/h7-10,12,15-16H,4-6,11H2,1-3H3
InChIKeyLCXNGISUZRMGLL-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.94
Rot. Bonds7

About 1-(4-butoxyphenyl)-2-methylbutan-1-ol

1-(4-butoxyphenyl)-2-methylbutan-1-ol (PubChem CID 105116550) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 1-(4-butoxyphenyl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-butoxyphenyl)-2-methylbutan-1-ol
PubChem CID105116550
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name1-(4-butoxyphenyl)-2-methylbutan-1-ol
SMILESCCCCOc1ccc(C(O)C(C)CC)cc1
InChIInChI=1S/C15H24O2/c1-4-6-11-17-14-9-7-13(8-10-14)15(16)12(3)5-2/h7-10,12,15-16H,4-6,11H2,1-3H3
InChIKeyLCXNGISUZRMGLL-UHFFFAOYSA-N
XLogP3.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369
3-methyl-1-(4-propoxyphenyl)butane-1,2-diol
CID 103456682
(1R)-1-(4-nonoxyphenyl)ethanol
CID 78944579
(1R)-1-(4-octoxyphenyl)ethanol
CID 55223040
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
bis(4-octoxyphenyl)methanol
CID 139262063
3-chloro-1-(4-heptoxyphenyl)propane-1,2-diol
CID 171863238
2-(butan-2-ylamino)-1-(4-propoxyphenyl)propan-1-ol
CID 82314100
3-[4-[(2R)-butan-2-yl]phenoxy]propyl-butylazanium
CID 2298384
1-(4-ethoxyphenyl)-2-ethylhexan-1-ol
CID 61099537
methyl 2-(4-pentoxyphenyl)propanoate
CID 69403046

Frequently Asked Questions

What is the IUPAC name of 1-(4-butoxyphenyl)-2-methylbutan-1-ol?
The IUPAC name of 1-(4-butoxyphenyl)-2-methylbutan-1-ol (CID 105116550) is 1-(4-butoxyphenyl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-butoxyphenyl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-butoxyphenyl)-2-methylbutan-1-ol is CCCCOc1ccc(C(O)C(C)CC)cc1.
What is the InChIKey of 1-(4-butoxyphenyl)-2-methylbutan-1-ol?
The InChIKey is LCXNGISUZRMGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-6-11-17-14-9-7-13(8-10-14)15(16)12(3)5-2/h7-10,12,15-16H,4-6,11H2,1-3H3.
What are the key properties of 1-(4-butoxyphenyl)-2-methylbutan-1-ol?
1-(4-butoxyphenyl)-2-methylbutan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butoxyphenyl)-2-methylbutan-1-ol is sourced from PubChem (CID 105116550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).