(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one

C20H16O2 — CID 122222249

IUPAC(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one
SMILESO=C1OC[C@H](c2ccccc2)[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C20H16O2/c21-20-19(18(13-22-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19H,13H2/t18-,19-/m1/s1
InChIKeyINHNCZQQGAZXDW-RTBURBONSA-N
MW288.35 g/mol
LogP4.26
Rot. Bonds2

About (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one

(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one (PubChem CID 122222249) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one.

Molecular Properties

Compound Name(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one
PubChem CID122222249
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one
SMILESO=C1OC[C@H](c2ccccc2)[C@H]1c1ccc2ccccc2c1
InChIInChI=1S/C20H16O2/c21-20-19(18(13-22-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19H,13H2/t18-,19-/m1/s1
InChIKeyINHNCZQQGAZXDW-RTBURBONSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-3,4-diphenyloxan-2-one
CID 102139812
3-(4-methoxyphenyl)-4-[4-(quinolin-2-ylmethoxy)phenyl]oxolan-2-one
CID 70234379
(2R,4R,5R)-5-naphthalen-2-yl-4-phenyl-2-(trifluoromethyl)oxan-2-ol
CID 139042590
(4R)-4-naphthalen-2-yloxolan-2-one
CID 12862871
(3S,4S)-3-(4-methoxyphenyl)-4-(3-methoxy-4-phenylmethoxyphenyl)oxolan-2-one
CID 177415450
(3aR,6S,6aS)-6-phenyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 11252672
(2R)-2-naphthalen-2-yloxirane
CID 10877557
2-oxo-4-phenyloxolane-3-carbonitrile
CID 12932810
(2R,5R)-2-naphthalen-2-yl-5-phenyloxolane
CID 101344860
(3R,4R)-4-(4-methoxyphenyl)-2-oxooxolane-3-carboxylic acid
CID 124842580
cis-(1S,2R)-2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 51888066
2-naphthalen-2-ylcyclopropane-1-carboxylic acid
CID 43810264

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one?
The IUPAC name of (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one (CID 122222249) is (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one.
What is the SMILES notation for (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one?
The canonical SMILES for (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one is O=C1OC[C@H](c2ccccc2)[C@H]1c1ccc2ccccc2c1.
What is the InChIKey of (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one?
The InChIKey is INHNCZQQGAZXDW-RTBURBONSA-N. The full InChI is InChI=1S/C20H16O2/c21-20-19(18(13-22-20)15-7-2-1-3-8-15)17-11-10-14-6-4-5-9-16(14)12-17/h1-12,18-19H,13H2/t18-,19-/m1/s1.
What are the key properties of (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one?
(3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one has a molecular weight of 288.35 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-naphthalen-2-yl-4-phenyloxolan-2-one is sourced from PubChem (CID 122222249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).