4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol

C22H18N2O2 — CID 921265

IUPAC4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol
SMILESCOc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccccc3)C2)c1
InChIInChI=1S/C22H18N2O2/c1-26-16-11-12-22(25)17(13-16)21-14-20(15-7-3-2-4-8-15)23-18-9-5-6-10-19(18)24-21/h2-13,25H,14H2,1H3
InChIKeyGJCTUHLOHFXGAP-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.05
Rot. Bonds3

About 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol

4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol (PubChem CID 921265) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol
PubChem CID921265
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol
SMILESCOc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccccc3)C2)c1
InChIInChI=1S/C22H18N2O2/c1-26-16-11-12-22(25)17(13-16)21-14-20(15-7-3-2-4-8-15)23-18-9-5-6-10-19(18)24-21/h2-13,25H,14H2,1H3
InChIKeyGJCTUHLOHFXGAP-UHFFFAOYSA-N
XLogP5.05
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-2-[4-(2-thienyl)-3H-1,5-benzodiazepin-2-yl]phenol
CID 890565
2-(4-Methoxyphenyl)-4-(4-methoxyphenyl)imino-1-benzopyran-6-ol
CID 1191868
4-methoxy-2-[4-(trifluoromethyl)-3H-1,5-benzodiazepin-2-yl]phenol
CID 744476
2-[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]-5-methylphenol
CID 135419123
2-[(4-Phenylmethoxyphenyl)iminomethyl]benzene-1,4-diol
CID 145977491
Phenol, 2-[4-(2-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]-
CID 353293
4-Methoxy-2-(phenyliminomethyl)phenol
CID 2308765
2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol
CID 702996
4-Methoxy-2-[(4-phenylmethoxyphenyl)iminomethyl]phenol
CID 135787695
4-[2-(3-Methoxyphenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]phenol
CID 135937280
4-[C-(4-hydroxyphenyl)-N-(4-methoxyphenyl)carbonimidoyl]phenol
CID 136502276
(4E)-4-[(2,4-dimethylphenyl)imino]-2-(4-methoxyphenyl)-4H-chromen-6-ol
CID 1643345

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol?
The IUPAC name of 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol (CID 921265) is 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol.
What is the SMILES notation for 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol?
The canonical SMILES for 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol is COc1ccc(O)c(C2=Nc3ccccc3N=C(c3ccccc3)C2)c1.
What is the InChIKey of 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol?
The InChIKey is GJCTUHLOHFXGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c1-26-16-11-12-22(25)17(13-16)21-14-20(15-7-3-2-4-8-15)23-18-9-5-6-10-19(18)24-21/h2-13,25H,14H2,1H3.
What are the key properties of 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol?
4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol has a molecular weight of 342.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol is sourced from PubChem (CID 921265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).