4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol

C29H27NO3 — CID 130313511

IUPAC4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(N=O)cc2)cc1
InChIInChI=1S/C29H27NO3/c1-28(2,21-10-16-26(31)17-11-21)20-4-6-22(7-5-20)29(3,24-12-18-27(32)19-13-24)23-8-14-25(30-33)15-9-23/h4-19,31-32H,1-3H3
InChIKeyRUEFMEVHKTTWHX-UHFFFAOYSA-N
MW437.54 g/mol
LogP7.18
Rot. Bonds6

About 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol

4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol (PubChem CID 130313511) has the molecular formula C29H27NO3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol
PubChem CID130313511
Molecular FormulaC29H27NO3
Molecular Weight437.54 g/mol
Exact Mass437.20
IUPAC Name4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(N=O)cc2)cc1
InChIInChI=1S/C29H27NO3/c1-28(2,21-10-16-26(31)17-11-21)20-4-6-22(7-5-20)29(3,24-12-18-27(32)19-13-24)23-8-14-25(30-33)15-9-23/h4-19,31-32H,1-3H3
InChIKeyRUEFMEVHKTTWHX-UHFFFAOYSA-N
XLogP7.18
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 57.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol
CID 634278
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;ethane
CID 91392325
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-(4-hydroxyphenyl)phenol;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 160883594
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
1-(1,1-diphenylethyl)-4-nitrosobenzene
CID 155112737
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenolate
CID 144806756
4-[1,1-bis(4-hydroxyphenyl)ethyl]phenol;4-[2-[4-[1,1-bis(4-hydroxyphenyl)ethyl]phenyl]propan-2-yl]phenol;4-[bis(4-hydroxyphenyl)methyl]phenol
CID 159558914
carbanide;tetrakis(4-[2-(4-hydroxyphenyl)propan-2-yl]phenol);tantalum
CID 20695639
disodium;hydride;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 173033429
carbanide;4-[2-[4-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;methanol;titanium
CID 20637487

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol (CID 130313511) is 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(C(C)(c2ccc(O)cc2)c2ccc(N=O)cc2)cc1.
What is the InChIKey of 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol?
The InChIKey is RUEFMEVHKTTWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27NO3/c1-28(2,21-10-16-26(31)17-11-21)20-4-6-22(7-5-20)29(3,24-12-18-27(32)19-13-24)23-8-14-25(30-33)15-9-23/h4-19,31-32H,1-3H3.
What are the key properties of 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol?
4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol has a molecular weight of 437.54 g/mol, XLogP of 7.18, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[1-(4-hydroxyphenyl)-1-(4-nitrosophenyl)ethyl]phenyl]propan-2-yl]phenol is sourced from PubChem (CID 130313511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).