(8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one

C50H44O7 — CID 161488850

IUPAC(8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCCOc1ccccc1[C@@H]1CC(=O)Cc2cc3c(cc21)OCO3.O=C1C[C@H](c2ccccc2)c2ccccc2O1.O=C1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H18O4.C16H14O.C15H12O2/c1-2-21-17-6-4-3-5-14(17)16-9-13(20)7-12-8-18-19(10-15(12)16)23-11-22-18;17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12;16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h3-6,8,10,16H,2,7,9,11H2,1H3;1-9,16H,10-11H2;1-9,13H,10H2/t2*16-;13-/m011/s1
InChIKeyWFIKPLIDKNCNAL-LDGRINFISA-N
MW756.90 g/mol
LogP9.92
Rot. Bonds5

About (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one

(8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 161488850) has the molecular formula C50H44O7 and a molecular weight of 756.90 g/mol. Its IUPAC name is (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name(8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
PubChem CID161488850
Molecular FormulaC50H44O7
Molecular Weight756.90 g/mol
Exact Mass756.31
IUPAC Name(8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
SMILESCCOc1ccccc1[C@@H]1CC(=O)Cc2cc3c(cc21)OCO3.O=C1C[C@H](c2ccccc2)c2ccccc2O1.O=C1Cc2ccccc2[C@@H](c2ccccc2)C1
InChIInChI=1S/C19H18O4.C16H14O.C15H12O2/c1-2-21-17-6-4-3-5-14(17)16-9-13(20)7-12-8-18-19(10-15(12)16)23-11-22-18;17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12;16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h3-6,8,10,16H,2,7,9,11H2,1H3;1-9,16H,10-11H2;1-9,13H,10H2/t2*16-;13-/m011/s1
InChIKeyWFIKPLIDKNCNAL-LDGRINFISA-N
XLogP9.92
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.90
LogP ≤ 59.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one (CID 161488850) is (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one is CCOc1ccccc1[C@@H]1CC(=O)Cc2cc3c(cc21)OCO3.O=C1C[C@H](c2ccccc2)c2ccccc2O1.O=C1Cc2ccccc2[C@@H](c2ccccc2)C1.
What is the InChIKey of (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is WFIKPLIDKNCNAL-LDGRINFISA-N. The full InChI is InChI=1S/C19H18O4.C16H14O.C15H12O2/c1-2-21-17-6-4-3-5-14(17)16-9-13(20)7-12-8-18-19(10-15(12)16)23-11-22-18;17-14-10-13-8-4-5-9-15(13)16(11-14)12-6-2-1-3-7-12;16-15-10-13(11-6-2-1-3-7-11)12-8-4-5-9-14(12)17-15/h3-6,8,10,16H,2,7,9,11H2,1H3;1-9,16H,10-11H2;1-9,13H,10H2/t2*16-;13-/m011/s1.
What are the key properties of (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one?
(8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 756.90 g/mol, XLogP of 9.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(2-ethoxyphenyl)-7,8-dihydro-5H-benzo[f][1,3]benzodioxol-6-one;(4R)-4-phenyl-3,4-dihydrochromen-2-one;(4R)-4-phenyl-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 161488850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).