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

C22H21NO2 — CID 170447509

IUPAC4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCc1cccc(C2COc3cc(O)ccc3C2c2cccc(N)c2)c1
InChIInChI=1S/C22H21NO2/c1-14-4-2-5-15(10-14)20-13-25-21-12-18(24)8-9-19(21)22(20)16-6-3-7-17(23)11-16/h2-12,20,22,24H,13,23H2,1H3
InChIKeySDTAQUHGAKWTMR-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.59
Rot. Bonds2

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

4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 170447509) has the molecular formula C22H21NO2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID170447509
Molecular FormulaC22H21NO2
Molecular Weight331.42 g/mol
Exact Mass331.16
IUPAC Name4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCc1cccc(C2COc3cc(O)ccc3C2c2cccc(N)c2)c1
InChIInChI=1S/C22H21NO2/c1-14-4-2-5-15(10-14)20-13-25-21-12-18(24)8-9-19(21)22(20)16-6-3-7-17(23)11-16/h2-12,20,22,24H,13,23H2,1H3
InChIKeySDTAQUHGAKWTMR-UHFFFAOYSA-N
XLogP4.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminophenyl)-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 58035760
4-[7-methyl-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]aniline
CID 170611167
3-(3-hydroxyphenyl)-4-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11405317
(4S)-3,4-bis(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 146292723
4-[4-(dimethylamino)phenyl]-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 170446454
4-[4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-chromen-3-yl]phenol
CID 134170323
(4R)-4-(4-methylperoxyphenyl)-3-phenyl-3,4-dihydro-2H-chromen-7-ol
CID 166661948
4-[7-methoxy-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-4-yl]-2-nitrophenol
CID 54495478
3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 11372768
4-[4-(dimethylamino)phenyl]-3-(2-fluoro-5-methylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 170446465
(3S,4R)-3-phenyl-4-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-chromen-7-ol
CID 157198591
N-[4-[7-hydroxy-3-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]acetamide
CID 170446132

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 170447509) is 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol is Cc1cccc(C2COc3cc(O)ccc3C2c2cccc(N)c2)c1.
What is the InChIKey of 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is SDTAQUHGAKWTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO2/c1-14-4-2-5-15(10-14)20-13-25-21-12-18(24)8-9-19(21)22(20)16-6-3-7-17(23)11-16/h2-12,20,22,24H,13,23H2,1H3.
What are the key properties of 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol?
4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 331.42 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-3-(3-methylphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 170447509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).