(E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one

C22H17NO2 — CID 155553461

IUPAC(E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one
SMILESNc1ccc(C(=O)/C=C/C2=Cc3c(ccc4ccccc34)OC2)cc1
InChIInChI=1S/C22H17NO2/c23-18-9-6-17(7-10-18)21(24)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)25-14-15/h1-13H,14,23H2/b11-5+
InChIKeyZQUIBGMJGZXNHZ-VZUCSPMQSA-N
MW327.38 g/mol
LogP4.64
Rot. Bonds3

About (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one

(E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one (PubChem CID 155553461) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one
PubChem CID155553461
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name(E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one
SMILESNc1ccc(C(=O)/C=C/C2=Cc3c(ccc4ccccc34)OC2)cc1
InChIInChI=1S/C22H17NO2/c23-18-9-6-17(7-10-18)21(24)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)25-14-15/h1-13H,14,23H2/b11-5+
InChIKeyZQUIBGMJGZXNHZ-VZUCSPMQSA-N
XLogP4.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

beta-NAPHTHYL ANTHRANILATE
CID 62217
2-(4-Amino-phenyl)-benzo[h]chromen-4-one
CID 11471732
(4-Dimethylamino-phenyl)-(4-methoxy-naphthalen-1-yl)-methanone
CID 815403
Methyl 6-((4-guanidinobenzoyl)oxy)-2-naphthoate
CID 118729853
3-(4-Nitrophenyl)benzo[f]chromen-1-one
CID 145990410
(E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 155512689
2-(4-Azidophenyl)benzo[h]chromen-4-one
CID 155537114
2-(3-Azidophenyl)benzo[h]chromen-4-one
CID 155539220
(E)-1-(4-aminophenyl)-3-[2-[2-(dimethylamino)ethoxy]-5-(3,5-dimethylphenyl)phenyl]prop-2-en-1-one
CID 11341562
(E)-1-(4-aminophenyl)-3-(4-methoxy-3,5-dimethylphenyl)prop-2-en-1-one
CID 156783234
N-phenyl-4-phenylmethoxynaphthalene-2-carboxamide
CID 162655420
4-{[(Naphthalen-1-yloxy)acetyl]amino}benzamide
CID 4513382

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one (CID 155553461) is (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one is Nc1ccc(C(=O)/C=C/C2=Cc3c(ccc4ccccc34)OC2)cc1.
What is the InChIKey of (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one?
The InChIKey is ZQUIBGMJGZXNHZ-VZUCSPMQSA-N. The full InChI is InChI=1S/C22H17NO2/c23-18-9-6-17(7-10-18)21(24)11-5-15-13-20-19-4-2-1-3-16(19)8-12-22(20)25-14-15/h1-13H,14,23H2/b11-5+.
What are the key properties of (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one?
(E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one has a molecular weight of 327.38 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-aminophenyl)-3-(3H-benzo[f]chromen-2-yl)prop-2-en-1-one is sourced from PubChem (CID 155553461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).