4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol

C13H20O2 — CID 86258794

IUPAC4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol
SMILESCC(C)(C)OCCCc1ccc(O)cc1
InChIInChI=1S/C13H20O2/c1-13(2,3)15-10-4-5-11-6-8-12(14)9-7-11/h6-9,14H,4-5,10H2,1-3H3
InChIKeyWESQWHVZXYCEBL-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.14
Rot. Bonds4

About 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol

4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol (PubChem CID 86258794) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol.

Molecular Properties

Compound Name4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol
PubChem CID86258794
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol
SMILESCC(C)(C)OCCCc1ccc(O)cc1
InChIInChI=1S/C13H20O2/c1-13(2,3)15-10-4-5-11-6-8-12(14)9-7-11/h6-9,14H,4-5,10H2,1-3H3
InChIKeyWESQWHVZXYCEBL-UHFFFAOYSA-N
XLogP3.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.14
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-fluoro-4-[3-[(2-methylpropan-2-yl)oxy]propyl]benzene
CID 67023424
4-(4,4-dimethylpentyl)phenol
CID 20692467
4-[3-[4-(3,3-dimethylbutyl)phenyl]propyl]phenol
CID 58897702
4-[11-(4-hydroxyphenyl)undecyl]phenol
CID 23191182
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 115942247
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112602898
4-butylphenol;tungsten
CID 174758928
ethane;4-[3-[4-[4-[3-(4-hydroxyphenyl)propyl]phenyl]phenyl]propyl]phenol
CID 91387150
4-[2-(4-pentylphenyl)ethyl]phenol
CID 57152203
lithium;4-butylphenol;hydride
CID 174758234
4-(5,5-dimethyloctyl)phenol
CID 175139014
4-(5-propoxypentyl)phenol
CID 175182886

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol?
The IUPAC name of 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol (CID 86258794) is 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol.
What is the SMILES notation for 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol?
The canonical SMILES for 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol is CC(C)(C)OCCCc1ccc(O)cc1.
What is the InChIKey of 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol?
The InChIKey is WESQWHVZXYCEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2,3)15-10-4-5-11-6-8-12(14)9-7-11/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol?
4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol has a molecular weight of 208.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(2-methylpropan-2-yl)oxy]propyl]phenol is sourced from PubChem (CID 86258794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).