4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol

C18H22O2 — CID 147387677

IUPAC4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
SMILESCC(C)(C)CC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H22O2/c1-18(2,3)12-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,19-20H,12H2,1-3H3
InChIKeyDMFYTZFWBLCVAK-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.67
Rot. Bonds3

About 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol

4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol (PubChem CID 147387677) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
PubChem CID147387677
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol
SMILESCC(C)(C)CC(c1ccc(O)cc1)c1ccc(O)cc1
InChIInChI=1S/C18H22O2/c1-18(2,3)12-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,19-20H,12H2,1-3H3
InChIKeyDMFYTZFWBLCVAK-UHFFFAOYSA-N
XLogP4.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-amino-2-hydroxy-4,4-dimethylpentyl)phenol
CID 151615052
4-[1-(4-hydroxyphenyl)-2,2-dimethylpropyl]phenol
CID 15597034
4-(4-amino-4-methylpentan-2-yl)phenol
CID 83907598
4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol
CID 172743360
4-[(2R)-2-amino-4,4-dimethylpentyl]phenol
CID 96616484
4-[1,11,11-tris(4-hydroxyphenyl)undecyl]phenol
CID 57252582
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
4-(1-fluoro-2,2-dimethylpropyl)phenol
CID 83855784
4-tert-butylphenol;nickel
CID 162056786
4-tert-butylphenol;titanium
CID 20801499
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
bis(4-tert-butylphenol);zirconium
CID 87864994

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol (CID 147387677) is 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol is CC(C)(C)CC(c1ccc(O)cc1)c1ccc(O)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol?
The InChIKey is DMFYTZFWBLCVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-18(2,3)12-17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,19-20H,12H2,1-3H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol?
4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol has a molecular weight of 270.37 g/mol, XLogP of 4.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-3,3-dimethylbutyl]phenol is sourced from PubChem (CID 147387677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).