6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one

C21H22O2 — CID 155211404

IUPAC6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one
SMILESCCc1ccc(CC/C=C/c2ccc3c(c2)C(=O)CCO3)cc1
InChIInChI=1S/C21H22O2/c1-2-16-7-9-17(10-8-16)5-3-4-6-18-11-12-21-19(15-18)20(22)13-14-23-21/h4,6-12,15H,2-3,5,13-14H2,1H3/b6-4+
InChIKeyODHNTAZWQICMJX-GQCTYLIASA-N
MW306.41 g/mol
LogP4.86
Rot. Bonds5

About 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one

6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one (PubChem CID 155211404) has the molecular formula C21H22O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one
PubChem CID155211404
Molecular FormulaC21H22O2
Molecular Weight306.41 g/mol
Exact Mass306.16
IUPAC Name6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one
SMILESCCc1ccc(CC/C=C/c2ccc3c(c2)C(=O)CCO3)cc1
InChIInChI=1S/C21H22O2/c1-2-16-7-9-17(10-8-16)5-3-4-6-18-11-12-21-19(15-18)20(22)13-14-23-21/h4,6-12,15H,2-3,5,13-14H2,1H3/b6-4+
InChIKeyODHNTAZWQICMJX-GQCTYLIASA-N
XLogP4.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one
CID 139329746
5-[(E)-4-(4-ethylphenyl)but-1-enyl]-1-benzofuran-3-one
CID 139329778
6-(3-bromoprop-1-enyl)-2,3-dihydrochromen-4-one
CID 169476137
4-(4-oxo-2,3-dihydrochromen-6-yl)but-3-enal
CID 170482549
N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
CID 169466156
6-butyl-2,3-dihydrochromen-4-one
CID 66595033
3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enamide
CID 169482398
6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
CID 150818824
6-[4-(5-ethyl-2-pyridinyl)but-1-enyl]-2,3-dihydroinden-1-one
CID 151176970
acetic acid;1-but-3-enyl-3-ethylbenzene;6-[(E)-4-(3-ethylphenyl)but-1-enyl]-2,3-dihydroinden-1-one;palladium
CID 158572483
6-[4-(3-acetylphenyl)but-1-enyl]-2,3-dihydroinden-1-one
CID 151766325
6-(4-hydroxybut-1-enyl)-2,3-dihydroinden-1-one
CID 170476722

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one (CID 155211404) is 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one is CCc1ccc(CC/C=C/c2ccc3c(c2)C(=O)CCO3)cc1.
What is the InChIKey of 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one?
The InChIKey is ODHNTAZWQICMJX-GQCTYLIASA-N. The full InChI is InChI=1S/C21H22O2/c1-2-16-7-9-17(10-8-16)5-3-4-6-18-11-12-21-19(15-18)20(22)13-14-23-21/h4,6-12,15H,2-3,5,13-14H2,1H3/b6-4+.
What are the key properties of 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one?
6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one has a molecular weight of 306.41 g/mol, XLogP of 4.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-4-(4-ethylphenyl)but-1-enyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 155211404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).