4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol

C16H26O3 — CID 112689131

IUPAC4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C16H26O3/c1-13(17)5-6-14-7-9-15(10-8-14)18-11-12-19-16(2,3)4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeySAFUNUYPFJKGIR-UHFFFAOYSA-N
MW266.38 g/mol
LogP3.19
Rot. Bonds7

About 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol

4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol (PubChem CID 112689131) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol.

Molecular Properties

Compound Name4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
PubChem CID112689131
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol
SMILESCC(O)CCc1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C16H26O3/c1-13(17)5-6-14-7-9-15(10-8-14)18-11-12-19-16(2,3)4/h7-10,13,17H,5-6,11-12H2,1-4H3
InChIKeySAFUNUYPFJKGIR-UHFFFAOYSA-N
XLogP3.19
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.19
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

(2R)-4-(4-butoxyphenyl)butan-2-ol
CID 93086996
4-[4-(2-hydroxyethoxy)phenyl]butan-2-ol
CID 43504158
4-(4-pent-4-ynoxyphenyl)butan-2-ol
CID 113343854
4-[4-(2-butoxyethoxy)phenyl]butan-2-ol
CID 61483224
4-[4-[2-(diethylamino)ethoxy]phenyl]butan-2-ol
CID 43504128
4-[4-(4-decoxyphenyl)phenyl]butan-2-ol
CID 18927874
4-[4-(2-ethylbutoxy)phenyl]butan-2-ol
CID 82928939
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
1-(4-butoxyphenyl)-4,4-dimethylpentan-3-ol
CID 82184926
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boronic acid
CID 54970401
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol?
The IUPAC name of 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol (CID 112689131) is 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol.
What is the SMILES notation for 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol?
The canonical SMILES for 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol is CC(O)CCc1ccc(OCCOC(C)(C)C)cc1.
What is the InChIKey of 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol?
The InChIKey is SAFUNUYPFJKGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O3/c1-13(17)5-6-14-7-9-15(10-8-14)18-11-12-19-16(2,3)4/h7-10,13,17H,5-6,11-12H2,1-4H3.
What are the key properties of 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol?
4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol has a molecular weight of 266.38 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-ol is sourced from PubChem (CID 112689131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).