4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C21H19NO3 — CID 58035760

IUPAC4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESNc1cccc(C2c3ccc(O)cc3OCC2c2ccc(O)cc2)c1
InChIInChI=1S/C21H19NO3/c22-15-3-1-2-14(10-15)21-18-9-8-17(24)11-20(18)25-12-19(21)13-4-6-16(23)7-5-13/h1-11,19,21,23-24H,12,22H2
InChIKeyNYPDDQKXFGEDBJ-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.99
Rot. Bonds2

About 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol

4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 58035760) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID58035760
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESNc1cccc(C2c3ccc(O)cc3OCC2c2ccc(O)cc2)c1
InChIInChI=1S/C21H19NO3/c22-15-3-1-2-14(10-15)21-18-9-8-17(24)11-20(18)25-12-19(21)13-4-6-16(23)7-5-13/h1-11,19,21,23-24H,12,22H2
InChIKeyNYPDDQKXFGEDBJ-UHFFFAOYSA-N
XLogP3.99
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-Methoxy-6-phenyl-6H-benzo[c]chromen-8-ylamine
CID 18189209
N-(1-Hydroxy-6-phenyl-6H-benzo[c]chromen-8-yl)-methanesulfonamide
CID 21136439
N-[6-(3-Hydroxy-phenyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-methanesulfonamide
CID 10272127
N-[6-(4-Ethoxy-benzyl)-1-methoxy-6H-benzo[c]chromen-8-yl]-methanesulfonamide
CID 10296963
N-[1-Methoxy-6-(2-methoxy-phenyl)-6H-benzo[c]chromen-8-yl]-methanesulfonamide
CID 44306078
4-[3-(3-Aminophenyl)phenyl]-5,7-dimethoxychromen-2-one
CID 6540230
3-(2,4-Dimethoxyphenyl)aniline
CID 2758411
2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol
CID 118714963
(2S,4E)-7-methoxy-2-(4-methoxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
CID 171344177
(2S,4E)-2-(4-hydroxyphenyl)-4-(phenylhydrazinylidene)-2,3-dihydrochromene-5,7-diol
CID 171356648
(2S,4E)-2-(4-hydroxyphenyl)-7-methoxy-4-(phenylhydrazinylidene)-2,3-dihydrochromen-5-ol
CID 171358364
4-(2-Fluorophenylimino)-2-(4-hydroxyphenyl)chroman-5,7-diol
CID 146171504

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 58035760) is 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol is Nc1cccc(C2c3ccc(O)cc3OCC2c2ccc(O)cc2)c1.
What is the InChIKey of 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is NYPDDQKXFGEDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c22-15-3-1-2-14(10-15)21-18-9-8-17(24)11-20(18)25-12-19(21)13-4-6-16(23)7-5-13/h1-11,19,21,23-24H,12,22H2.
What are the key properties of 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 333.39 g/mol, XLogP of 3.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 58035760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).