4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol

C27H26N2O3 — CID 146646113

IUPAC4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol
SMILESCC(N)(c1ccc(O)cc1)c1ccc(C(N)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-26(28,19-6-12-23(30)13-7-19)18-2-4-20(5-3-18)27(29,21-8-14-24(31)15-9-21)22-10-16-25(32)17-11-22/h2-17,30-32H,28-29H2,1H3
InChIKeyDEGMSAZINNTAMY-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.28
Rot. Bonds5

About 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol

4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol (PubChem CID 146646113) has the molecular formula C27H26N2O3 and a molecular weight of 426.52 g/mol. Its IUPAC name is 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol.

Molecular Properties

Compound Name4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol
PubChem CID146646113
Molecular FormulaC27H26N2O3
Molecular Weight426.52 g/mol
Exact Mass426.19
IUPAC Name4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol
SMILESCC(N)(c1ccc(O)cc1)c1ccc(C(N)(c2ccc(O)cc2)c2ccc(O)cc2)cc1
InChIInChI=1S/C27H26N2O3/c1-26(28,19-6-12-23(30)13-7-19)18-2-4-20(5-3-18)27(29,21-8-14-24(31)15-9-21)22-10-16-25(32)17-11-22/h2-17,30-32H,28-29H2,1H3
InChIKeyDEGMSAZINNTAMY-UHFFFAOYSA-N
XLogP4.28
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butylphenol;cobalt
CID 174380967
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
4-tert-butylphenol;titanium
CID 20801499
4-tert-butylphenol;nickel
CID 162056786
4-[(2R)-2-aminobutan-2-yl]phenol
CID 130649235
4-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453346
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949
1-(4-hydroxyphenyl)ethane-1,1-diol
CID 137436479
(2S)-2-amino-2-(4-hydroxyphenyl)propanamide
CID 68535967
4-(2-sulfanylpropan-2-yl)phenol
CID 91874189

Frequently Asked Questions

What is the IUPAC name of 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol?
The IUPAC name of 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol (CID 146646113) is 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol.
What is the SMILES notation for 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol?
The canonical SMILES for 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol is CC(N)(c1ccc(O)cc1)c1ccc(C(N)(c2ccc(O)cc2)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol?
The InChIKey is DEGMSAZINNTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O3/c1-26(28,19-6-12-23(30)13-7-19)18-2-4-20(5-3-18)27(29,21-8-14-24(31)15-9-21)22-10-16-25(32)17-11-22/h2-17,30-32H,28-29H2,1H3.
What are the key properties of 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol?
4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol has a molecular weight of 426.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-amino-1-[4-[amino-bis(4-hydroxyphenyl)methyl]phenyl]ethyl]phenol is sourced from PubChem (CID 146646113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).