(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one

C18H16O2 — CID 139075246

IUPAC(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](c2ccc3c(c2)CCCC3)c2ccccc21
InChIInChI=1S/C18H16O2/c19-18-16-8-4-3-7-15(16)17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11,17H,1-2,5-6H2/t17-/m0/s1
InChIKeyKRVWGOSXWIBUEK-KRWDZBQOSA-N
MW264.32 g/mol
LogP3.83
Rot. Bonds1

About (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one

(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one (PubChem CID 139075246) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one
PubChem CID139075246
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one
SMILESO=C1O[C@@H](c2ccc3c(c2)CCCC3)c2ccccc21
InChIInChI=1S/C18H16O2/c19-18-16-8-4-3-7-15(16)17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11,17H,1-2,5-6H2/t17-/m0/s1
InChIKeyKRVWGOSXWIBUEK-KRWDZBQOSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one?
The IUPAC name of (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one (CID 139075246) is (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one.
What is the SMILES notation for (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one?
The canonical SMILES for (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one is O=C1O[C@@H](c2ccc3c(c2)CCCC3)c2ccccc21.
What is the InChIKey of (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one?
The InChIKey is KRVWGOSXWIBUEK-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H16O2/c19-18-16-8-4-3-7-15(16)17(20-18)14-10-9-12-5-1-2-6-13(12)11-14/h3-4,7-11,17H,1-2,5-6H2/t17-/m0/s1.
What are the key properties of (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one?
(3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one has a molecular weight of 264.32 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 139075246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).