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

C24H20O2 — CID 155563007

IUPAC(E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(C(=O)/C=C/C2=Cc3c(ccc4ccccc34)OC2)cc1
InChIInChI=1S/C24H20O2/c1-2-17-7-10-20(11-8-17)23(25)13-9-18-15-22-21-6-4-3-5-19(21)12-14-24(22)26-16-18/h3-15H,2,16H2,1H3/b13-9+
InChIKeyONVOTEIVHKDQNN-UKTHLTGXSA-N
MW340.42 g/mol
LogP5.62
Rot. Bonds4

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

(E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one (PubChem CID 155563007) has the molecular formula C24H20O2 and a molecular weight of 340.42 g/mol. Its IUPAC name is (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one
PubChem CID155563007
Molecular FormulaC24H20O2
Molecular Weight340.42 g/mol
Exact Mass340.15
IUPAC Name(E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one
SMILESCCc1ccc(C(=O)/C=C/C2=Cc3c(ccc4ccccc34)OC2)cc1
InChIInChI=1S/C24H20O2/c1-2-17-7-10-20(11-8-17)23(25)13-9-18-15-22-21-6-4-3-5-19(21)12-14-24(22)26-16-18/h3-15H,2,16H2,1H3/b13-9+
InChIKeyONVOTEIVHKDQNN-UKTHLTGXSA-N
XLogP5.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.42
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one (CID 155563007) is (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one is CCc1ccc(C(=O)/C=C/C2=Cc3c(ccc4ccccc34)OC2)cc1.
What is the InChIKey of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one?
The InChIKey is ONVOTEIVHKDQNN-UKTHLTGXSA-N. The full InChI is InChI=1S/C24H20O2/c1-2-17-7-10-20(11-8-17)23(25)13-9-18-15-22-21-6-4-3-5-19(21)12-14-24(22)26-16-18/h3-15H,2,16H2,1H3/b13-9+.
What are the key properties of (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one?
(E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one has a molecular weight of 340.42 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3H-benzo[f]chromen-2-yl)-1-(4-ethylphenyl)prop-2-en-1-one is sourced from PubChem (CID 155563007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).