(4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione

C17H18O3 — CID 132851470

IUPAC(4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione
SMILESCCc1ccc([C@H]2CC(=O)OC3=C2CCCC3=O)cc1
InChIInChI=1S/C17H18O3/c1-2-11-6-8-12(9-7-11)14-10-16(19)20-17-13(14)4-3-5-15(17)18/h6-9,14H,2-5,10H2,1H3/t14-/m1/s1
InChIKeyPFAQEKPSKZCNKG-CQSZACIVSA-N
MW270.33 g/mol
LogP3.29
Rot. Bonds2

About (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione

(4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione (PubChem CID 132851470) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione.

Molecular Properties

Compound Name(4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione
PubChem CID132851470
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione
SMILESCCc1ccc([C@H]2CC(=O)OC3=C2CCCC3=O)cc1
InChIInChI=1S/C17H18O3/c1-2-11-6-8-12(9-7-11)14-10-16(19)20-17-13(14)4-3-5-15(17)18/h6-9,14H,2-5,10H2,1H3/t14-/m1/s1
InChIKeyPFAQEKPSKZCNKG-CQSZACIVSA-N
XLogP3.29
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-ethylphenyl)oxane-2,6-dione
CID 82127294
4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 6621513
(4R)-6-ethyl-4-phenyl-3,4-dihydrochromen-2-one
CID 822750
(4S)-4-(4-ethylphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 756989
8-ethyl-1-phenyl-1,2-dihydrobenzo[f]chromen-3-one
CID 24807051
(2R)-2-(4-ethylphenyl)oxan-4-one
CID 45094741
5-methylidene-4-(4-methylphenyl)oxolan-2-one
CID 14416057
ethyl (2R,4S)-2-hydroxy-8-oxo-4-(4-propan-2-ylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2-carboxylate
CID 53495215
3-(4-ethylphenyl)pyrrolidin-2-one
CID 82125500
(2E)-2-[(4-ethylphenyl)methylidene]cyclopentan-1-one
CID 122707370
4-(3-methylphenyl)-4,6,7,8-tetrahydro-3H-chromene-2,5-dione
CID 162373113
ethyl 6-ethyl-2-oxo-4-phenyl-3,4-dihydropyran-5-carboxylate
CID 141454268

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione?
The IUPAC name of (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione (CID 132851470) is (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione.
What is the SMILES notation for (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione?
The canonical SMILES for (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione is CCc1ccc([C@H]2CC(=O)OC3=C2CCCC3=O)cc1.
What is the InChIKey of (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione?
The InChIKey is PFAQEKPSKZCNKG-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18O3/c1-2-11-6-8-12(9-7-11)14-10-16(19)20-17-13(14)4-3-5-15(17)18/h6-9,14H,2-5,10H2,1H3/t14-/m1/s1.
What are the key properties of (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione?
(4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione has a molecular weight of 270.33 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-ethylphenyl)-4,5,6,7-tetrahydro-3H-chromene-2,8-dione is sourced from PubChem (CID 132851470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).