4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol

C17H20O2 — CID 15597034

IUPAC4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
SMILESCC(C)(C)C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H20O2/c1-17(2,3)16(12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,16,18-19H,1-3H3
InChIKeyOMFKAAYGALHAKD-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.28
Rot. Bonds2

About 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol

4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol (PubChem CID 15597034) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
PubChem CID15597034
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
SMILESCC(C)(C)C(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C17H20O2/c1-17(2,3)16(12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,16,18-19H,1-3H3
InChIKeyOMFKAAYGALHAKD-UHFFFAOYSA-N
XLogP4.28
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784
4-(2,2-dimethyl-1-nitrosopropyl)phenol
CID 54551031
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
CID 147387677
4-[4-(hydroxymethyl)-2,2,5,5-tetramethylhexan-3-yl]phenol
CID 71234769
4-[2,2,3,3,4,4,4-heptafluoro-1-(4-hydroxyphenyl)butyl]phenol
CID 20504864
4-(1-amino-2,2-difluoropropyl)phenol
CID 84660941
methane;4-propan-2-ylphenol
CID 159328733
4-[(1S)-1-amino-2-methylpropyl]phenol
CID 55278792
4-[1,2,2-tris(4-hydroxyphenyl)-3,3-diphenylpropyl]phenol
CID 174977121
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
4-[3-chloro-3-(4-hydroxyphenyl)butan-2-yl]phenol
CID 22623403

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol (CID 15597034) is 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol is CC(C)(C)C(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol?
The InChIKey is OMFKAAYGALHAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-17(2,3)16(12-4-8-14(18)9-5-12)13-6-10-15(19)11-7-13/h4-11,16,18-19H,1-3H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol?
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol has a molecular weight of 256.35 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol is sourced from PubChem (CID 15597034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).