(2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one

C21H18O3 — CID 101371825

IUPAC(2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one
SMILESC=C(C)[C@]1(C)Cc2c(ccc3oc(-c4ccccc4)cc(=O)c23)O1
InChIInChI=1S/C21H18O3/c1-13(2)21(3)12-15-17(24-21)9-10-18-20(15)16(22)11-19(23-18)14-7-5-4-6-8-14/h4-11H,1,12H2,2-3H3/t21-/m0/s1
InChIKeyGVGADJDHSCWEII-NRFANRHFSA-N
MW318.37 g/mol
LogP4.73
Rot. Bonds2

About (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one

(2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one (PubChem CID 101371825) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one.

Molecular Properties

Compound Name(2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one
PubChem CID101371825
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name(2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one
SMILESC=C(C)[C@]1(C)Cc2c(ccc3oc(-c4ccccc4)cc(=O)c23)O1
InChIInChI=1S/C21H18O3/c1-13(2)21(3)12-15-17(24-21)9-10-18-20(15)16(22)11-19(23-18)14-7-5-4-6-8-14/h4-11H,1,12H2,2-3H3/t21-/m0/s1
InChIKeyGVGADJDHSCWEII-NRFANRHFSA-N
XLogP4.73
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-methyl-3-phenyl-8-prop-1-en-2-yl-9H-furo[2,3-h]chromen-4-one
CID 102355319
5-(3-methylbuta-1,3-dien-2-yl)-2-phenylchromen-4-one
CID 134612835
(8R)-8-ethenyl-8-methyl-2-phenyl-9H-furo[2,3-h]chromen-4-one
CID 101371809
CID 172853606
CID 172853606
2-phenyl-8-prop-1-en-2-yl-8,9-dihydrofuro[2,3-h]chromen-4-one
CID 102355326
N-(5-bromo-4-oxo-2-phenylchromen-6-yl)acetamide
CID 121366089
formaldehyde;bis(5,6,7-trihydroxy-2-phenylchromen-4-one)
CID 175123321
2,5-diphenylchromen-4-one
CID 71424268
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
5,7-dihydroxy-6-methyl-2-phenylchromen-4-one
CID 11536318
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
sodium;hydride;5,6,7-trihydroxy-2-phenylchromen-4-one
CID 174885991

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one?
The IUPAC name of (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one (CID 101371825) is (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one.
What is the SMILES notation for (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one?
The canonical SMILES for (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one is C=C(C)[C@]1(C)Cc2c(ccc3oc(-c4ccccc4)cc(=O)c23)O1.
What is the InChIKey of (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one?
The InChIKey is GVGADJDHSCWEII-NRFANRHFSA-N. The full InChI is InChI=1S/C21H18O3/c1-13(2)21(3)12-15-17(24-21)9-10-18-20(15)16(22)11-19(23-18)14-7-5-4-6-8-14/h4-11H,1,12H2,2-3H3/t21-/m0/s1.
What are the key properties of (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one?
(2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one has a molecular weight of 318.37 g/mol, XLogP of 4.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-7-phenyl-2-prop-1-en-2-yl-1H-furo[3,2-f]chromen-9-one is sourced from PubChem (CID 101371825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).