(2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone

C20H16O2 — CID 7053397

IUPAC(2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)[C@H](O)c1ccccc1
InChIInChI=1S/C20H16O2/c21-19(15-5-2-1-3-6-15)20(22)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12,19,21H,9-10H2/t19-/m1/s1
InChIKeyCUWREYKDDYJRCN-LJQANCHMSA-N
MW288.35 g/mol
LogP3.85
Rot. Bonds3

About (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone

(2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone (PubChem CID 7053397) has the molecular formula C20H16O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone
PubChem CID7053397
Molecular FormulaC20H16O2
Molecular Weight288.35 g/mol
Exact Mass288.12
IUPAC Name(2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone
SMILESO=C(c1ccc2c3c(cccc13)CC2)[C@H](O)c1ccccc1
InChIInChI=1S/C20H16O2/c21-19(15-5-2-1-3-6-15)20(22)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12,19,21H,9-10H2/t19-/m1/s1
InChIKeyCUWREYKDDYJRCN-LJQANCHMSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone?
The IUPAC name of (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone (CID 7053397) is (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone is O=C(c1ccc2c3c(cccc13)CC2)[C@H](O)c1ccccc1.
What is the InChIKey of (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone?
The InChIKey is CUWREYKDDYJRCN-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16O2/c21-19(15-5-2-1-3-6-15)20(22)17-12-11-14-10-9-13-7-4-8-16(17)18(13)14/h1-8,11-12,19,21H,9-10H2/t19-/m1/s1.
What are the key properties of (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone?
(2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone has a molecular weight of 288.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1,2-dihydroacenaphthylen-5-yl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 7053397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).