(2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione

C20H16O3 — CID 169225490

IUPAC(2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione
SMILESO=C1CC[C@@]2(C=C(Cc3ccccc3)c3ccccc3C2=O)O1
InChIInChI=1S/C20H16O3/c21-18-10-11-20(23-18)13-15(12-14-6-2-1-3-7-14)16-8-4-5-9-17(16)19(20)22/h1-9,13H,10-12H2/t20-/m0/s1
InChIKeyJBVNCMCKWAQCJI-FQEVSTJZSA-N
MW304.34 g/mol
LogP3.58
Rot. Bonds2

About (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione

(2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione (PubChem CID 169225490) has the molecular formula C20H16O3 and a molecular weight of 304.34 g/mol. Its IUPAC name is (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione.

Molecular Properties

Compound Name(2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione
PubChem CID169225490
Molecular FormulaC20H16O3
Molecular Weight304.34 g/mol
Exact Mass304.11
IUPAC Name(2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione
SMILESO=C1CC[C@@]2(C=C(Cc3ccccc3)c3ccccc3C2=O)O1
InChIInChI=1S/C20H16O3/c21-18-10-11-20(23-18)13-15(12-14-6-2-1-3-7-14)16-8-4-5-9-17(16)19(20)22/h1-9,13H,10-12H2/t20-/m0/s1
InChIKeyJBVNCMCKWAQCJI-FQEVSTJZSA-N
XLogP3.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-5,10-dioxo-2H,5H,10H-benzo[g]chromene-2-carboxylate
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Mls002608257
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Indeno(1,2-c)isochromene-5,11-dione
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1(3H)-Isobenzofuranone, 3-phenyl-3-(phenylmethyl)-
CID 290626
Naphtho[3,2-c]isochromene-5,7,12-trione
CID 401276
2-Benzoyloxy-1,4-naphthoquinone
CID 825051
3,3-Bis(2-methylphenyl)-2-benzofuran-1(3h)-one
CID 285973
3-Benzoylphthalide
CID 3328624
[3-(3-Methoxy-1,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] benzoate
CID 11349448
[1,4-dioxo-3-[(E)-prop-1-enyl]naphthalen-2-yl] benzoate
CID 13887394
[3-(Cyclohexylmethyl)-1,4-dioxonaphthalen-2-yl] acetate
CID 44332491
5-(2,2-Dimethyl-5-oxobenzo[g]chromen-10-ylidene)-2,2-dimethylbenzo[g]chromen-10-one
CID 162997582

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione?
The IUPAC name of (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione (CID 169225490) is (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione.
What is the SMILES notation for (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione?
The canonical SMILES for (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione is O=C1CC[C@@]2(C=C(Cc3ccccc3)c3ccccc3C2=O)O1.
What is the InChIKey of (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione?
The InChIKey is JBVNCMCKWAQCJI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H16O3/c21-18-10-11-20(23-18)13-15(12-14-6-2-1-3-7-14)16-8-4-5-9-17(16)19(20)22/h1-9,13H,10-12H2/t20-/m0/s1.
What are the key properties of (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione?
(2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione has a molecular weight of 304.34 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzylspiro[naphthalene-2,5'-oxolane]-1,2'-dione is sourced from PubChem (CID 169225490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).