4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol

C24H24FNO2 — CID 170446465

IUPAC4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCc1ccc(F)c(C2COc3cc(O)ccc3C2c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C24H24FNO2/c1-15-4-11-22(25)20(12-15)21-14-28-23-13-18(27)9-10-19(23)24(21)16-5-7-17(8-6-16)26(2)3/h4-13,21,24,27H,14H2,1-3H3
InChIKeyXRKUFXSHTLGDLL-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.21
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol

4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 170446465) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID170446465
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC Name4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCc1ccc(F)c(C2COc3cc(O)ccc3C2c2ccc(N(C)C)cc2)c1
InChIInChI=1S/C24H24FNO2/c1-15-4-11-22(25)20(12-15)21-14-28-23-13-18(27)9-10-19(23)24(21)16-5-7-17(8-6-16)26(2)3/h4-13,21,24,27H,14H2,1-3H3
InChIKeyXRKUFXSHTLGDLL-UHFFFAOYSA-N
XLogP5.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 170446465) is 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol is Cc1ccc(F)c(C2COc3cc(O)ccc3C2c2ccc(N(C)C)cc2)c1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is XRKUFXSHTLGDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-15-4-11-22(25)20(12-15)21-14-28-23-13-18(27)9-10-19(23)24(21)16-5-7-17(8-6-16)26(2)3/h4-13,21,24,27H,14H2,1-3H3.
What are the key properties of 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?
4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 377.46 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 170446465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).