4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol

C24H28O3 — CID 139709690

IUPAC4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)C1(C(C)(C)c2ccc(O)cc2)C=CC(O)=CC1
InChIInChI=1S/C24H28O3/c1-22(2,17-5-9-19(25)10-6-17)24(15-13-21(27)14-16-24)23(3,4)18-7-11-20(26)12-8-18/h5-15,25-27H,16H2,1-4H3
InChIKeyPUHOGONZMYVTEE-UHFFFAOYSA-N
MW364.49 g/mol
LogP5.74
Rot. Bonds4

About 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol

4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol (PubChem CID 139709690) has the molecular formula C24H28O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol
PubChem CID139709690
Molecular FormulaC24H28O3
Molecular Weight364.49 g/mol
Exact Mass364.20
IUPAC Name4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)C1(C(C)(C)c2ccc(O)cc2)C=CC(O)=CC1
InChIInChI=1S/C24H28O3/c1-22(2,17-5-9-19(25)10-6-17)24(15-13-21(27)14-16-24)23(3,4)18-7-11-20(26)12-8-18/h5-15,25-27H,16H2,1-4H3
InChIKeyPUHOGONZMYVTEE-UHFFFAOYSA-N
XLogP5.74
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol with MolForge

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Related Compounds

4-[[4-hydroxy-1-(4-hydroxycyclohexa-2,4-dien-1-yl)oxycyclohexa-2,4-dien-1-yl]-bis(4-hydroxyphenyl)methyl]phenol
CID 173310123
4-[(4-hydroxy-1-methylcyclohexa-2,4-dien-1-yl)sulfanylmethyl]phenol
CID 143957840
4-tert-butyl-4-ethoxycyclohexa-1,5-dien-1-ol
CID 70440356
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;cobalt
CID 174380967
bis(4-tert-butylphenol);zirconium
CID 87864994
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-tert-butylphenol;nickel
CID 162056786
disodium bisphenol-A
CID 66941220
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
4-[2-[4-[1-(4-hydroxycyclohexa-2,4-dien-1-yl)-1-(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 70985813

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol (CID 139709690) is 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)C1(C(C)(C)c2ccc(O)cc2)C=CC(O)=CC1.
What is the InChIKey of 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol?
The InChIKey is PUHOGONZMYVTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O3/c1-22(2,17-5-9-19(25)10-6-17)24(15-13-21(27)14-16-24)23(3,4)18-7-11-20(26)12-8-18/h5-15,25-27H,16H2,1-4H3.
What are the key properties of 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol?
4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol has a molecular weight of 364.49 g/mol, XLogP of 5.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-hydroxy-1-[2-(4-hydroxyphenyl)propan-2-yl]cyclohexa-2,4-dien-1-yl]propan-2-yl]phenol is sourced from PubChem (CID 139709690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).