4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol

C22H22O2 — CID 22648594

IUPAC4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
SMILESCC(C)c1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H22O2/c1-15(2)16-3-5-17(6-4-16)22(18-7-11-20(23)12-8-18)19-9-13-21(24)14-10-19/h3-15,22-24H,1-2H3
InChIKeyNVNNHQKUQJVQFM-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.40
Rot. Bonds4

About 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol

4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol (PubChem CID 22648594) has the molecular formula C22H22O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
PubChem CID22648594
Molecular FormulaC22H22O2
Molecular Weight318.42 g/mol
Exact Mass318.16
IUPAC Name4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol
SMILESCC(C)c1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C22H22O2/c1-15(2)16-3-5-17(6-4-16)22(18-7-11-20(23)12-8-18)19-9-13-21(24)14-10-19/h3-15,22-24H,1-2H3
InChIKeyNVNNHQKUQJVQFM-UHFFFAOYSA-N
XLogP5.40
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]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

methane;4-propan-2-ylphenol
CID 159328733
CID 174824648
CID 174824648
4-[(E)-2-(4-propan-2-ylphenyl)ethenyl]phenol
CID 122603280
4-(4-propan-2-ylanilino)phenol
CID 21326552
4-[1-(4-hydroxyphenyl)ethyl]phenol
CID 608116
ethane;methanol;4-[2-(4-propan-2-ylphenyl)propan-2-yl]phenol
CID 144897116
4-propan-2-ylphenol;trifluoromethanesulfonate
CID 91607276
4-[(4-hydroxy-3,5-diiodophenyl)-(4-hydroxyphenyl)methyl]-2,6-diiodophenol
CID 170357941
4-[(1R)-1-fluoroethyl]phenol
CID 124547590
ethane;phenol;1-phenyl-4-propan-2-ylbenzene
CID 159836751
4-[[4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]phenyl]-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 68635784
1-[bis(4-propan-2-ylphenyl)methyl]-4-propan-2-ylbenzene;methane;4-propan-2-yl-N,N-bis(4-propan-2-ylphenyl)aniline
CID 161251887

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol?
The IUPAC name of 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol (CID 22648594) is 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol.
What is the SMILES notation for 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol?
The canonical SMILES for 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol is CC(C)c1ccc(C(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol?
The InChIKey is NVNNHQKUQJVQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O2/c1-15(2)16-3-5-17(6-4-16)22(18-7-11-20(23)12-8-18)19-9-13-21(24)14-10-19/h3-15,22-24H,1-2H3.
What are the key properties of 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol?
4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol has a molecular weight of 318.42 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hydroxyphenyl)-(4-propan-2-ylphenyl)methyl]phenol is sourced from PubChem (CID 22648594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).