2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol

C23H21NO3 — CID 118714963

IUPAC2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESCc1cc(C2Oc3cc(O)ccc3C=C2c2ccc(O)cc2)cc(C)c1N
InChIInChI=1S/C23H21NO3/c1-13-9-17(10-14(2)22(13)24)23-20(15-3-6-18(25)7-4-15)11-16-5-8-19(26)12-21(16)27-23/h3-12,23,25-26H,24H2,1-2H3
InChIKeyOPKGPPNZVCDGFM-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.97
Rot. Bonds2

About 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol

2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol (PubChem CID 118714963) has the molecular formula C23H21NO3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol.

Molecular Properties

Compound Name2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol
PubChem CID118714963
Molecular FormulaC23H21NO3
Molecular Weight359.43 g/mol
Exact Mass359.15
IUPAC Name2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol
SMILESCc1cc(C2Oc3cc(O)ccc3C=C2c2ccc(O)cc2)cc(C)c1N
InChIInChI=1S/C23H21NO3/c1-13-9-17(10-14(2)22(13)24)23-20(15-3-6-18(25)7-4-15)11-16-5-8-19(26)12-21(16)27-23/h3-12,23,25-26H,24H2,1-2H3
InChIKeyOPKGPPNZVCDGFM-UHFFFAOYSA-N
XLogP4.97
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The IUPAC name of 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol (CID 118714963) is 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol.
What is the SMILES notation for 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The canonical SMILES for 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol is Cc1cc(C2Oc3cc(O)ccc3C=C2c2ccc(O)cc2)cc(C)c1N.
What is the InChIKey of 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
The InChIKey is OPKGPPNZVCDGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO3/c1-13-9-17(10-14(2)22(13)24)23-20(15-3-6-18(25)7-4-15)11-16-5-8-19(26)12-21(16)27-23/h3-12,23,25-26H,24H2,1-2H3.
What are the key properties of 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol?
2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol has a molecular weight of 359.43 g/mol, XLogP of 4.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3,5-dimethylphenyl)-3-(4-hydroxyphenyl)-2H-chromen-7-ol is sourced from PubChem (CID 118714963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).