(4-butoxyphenyl)-(oxan-4-yl)methanol

C16H24O3 — CID 105097491

IUPAC(4-butoxyphenyl)-(oxan-4-yl)methanol
SMILESCCCCOc1ccc(C(O)C2CCOCC2)cc1
InChIInChI=1S/C16H24O3/c1-2-3-10-19-15-6-4-13(5-7-15)16(17)14-8-11-18-12-9-14/h4-7,14,16-17H,2-3,8-12H2,1H3
InChIKeyNPIQOAVCUVIOPV-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.33
Rot. Bonds6

About (4-butoxyphenyl)-(oxan-4-yl)methanol

(4-butoxyphenyl)-(oxan-4-yl)methanol (PubChem CID 105097491) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is (4-butoxyphenyl)-(oxan-4-yl)methanol.

Molecular Properties

Compound Name(4-butoxyphenyl)-(oxan-4-yl)methanol
PubChem CID105097491
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name(4-butoxyphenyl)-(oxan-4-yl)methanol
SMILESCCCCOc1ccc(C(O)C2CCOCC2)cc1
InChIInChI=1S/C16H24O3/c1-2-3-10-19-15-6-4-13(5-7-15)16(17)14-8-11-18-12-9-14/h4-7,14,16-17H,2-3,8-12H2,1H3
InChIKeyNPIQOAVCUVIOPV-UHFFFAOYSA-N
XLogP3.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylcyclohexyl)-(4-propoxyphenyl)methanol
CID 64728664
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
(3,4-diethoxyphenyl)-(oxan-4-yl)methanol
CID 62905165
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
1-(4-butoxyphenyl)propan-1-ol
CID 19979001
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
(4-methylsulfanylphenyl)-(oxan-4-yl)methanol
CID 115797647
(R)-(4-ethoxyphenyl)-piperidin-1-ium-4-ylmethanol
CID 7348196
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 10737302
N-[(4-butoxyphenyl)methyl]-1-(oxolan-3-yl)ethanamine
CID 115655195
3-[chloro-(4-ethoxyphenyl)methyl]oxolane
CID 61278916
(1R)-1-(4-pentoxyphenyl)ethanol
CID 25324369

Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(oxan-4-yl)methanol?
The IUPAC name of (4-butoxyphenyl)-(oxan-4-yl)methanol (CID 105097491) is (4-butoxyphenyl)-(oxan-4-yl)methanol.
What is the SMILES notation for (4-butoxyphenyl)-(oxan-4-yl)methanol?
The canonical SMILES for (4-butoxyphenyl)-(oxan-4-yl)methanol is CCCCOc1ccc(C(O)C2CCOCC2)cc1.
What is the InChIKey of (4-butoxyphenyl)-(oxan-4-yl)methanol?
The InChIKey is NPIQOAVCUVIOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-3-10-19-15-6-4-13(5-7-15)16(17)14-8-11-18-12-9-14/h4-7,14,16-17H,2-3,8-12H2,1H3.
What are the key properties of (4-butoxyphenyl)-(oxan-4-yl)methanol?
(4-butoxyphenyl)-(oxan-4-yl)methanol has a molecular weight of 264.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(oxan-4-yl)methanol is sourced from PubChem (CID 105097491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).