(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one

C18H18O2 — CID 127256657

IUPAC(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
SMILESCc1ccc([C@@H]2C[C@@H](c3ccccc3)CC(=O)O2)cc1
InChIInChI=1S/C18H18O2/c1-13-7-9-15(10-8-13)17-11-16(12-18(19)20-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1
InChIKeyCCUSASWCLNHSPB-SJORKVTESA-N
MW266.34 g/mol
LogP4.16
Rot. Bonds2

About (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one

(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one (PubChem CID 127256657) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one.

Molecular Properties

Compound Name(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
PubChem CID127256657
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one
SMILESCc1ccc([C@@H]2C[C@@H](c3ccccc3)CC(=O)O2)cc1
InChIInChI=1S/C18H18O2/c1-13-7-9-15(10-8-13)17-11-16(12-18(19)20-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1
InChIKeyCCUSASWCLNHSPB-SJORKVTESA-N
XLogP4.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one?
The IUPAC name of (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one (CID 127256657) is (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one.
What is the SMILES notation for (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one?
The canonical SMILES for (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one is Cc1ccc([C@@H]2C[C@@H](c3ccccc3)CC(=O)O2)cc1.
What is the InChIKey of (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one?
The InChIKey is CCUSASWCLNHSPB-SJORKVTESA-N. The full InChI is InChI=1S/C18H18O2/c1-13-7-9-15(10-8-13)17-11-16(12-18(19)20-17)14-5-3-2-4-6-14/h2-10,16-17H,11-12H2,1H3/t16-,17+/m1/s1.
What are the key properties of (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one?
(4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one has a molecular weight of 266.34 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-6-(4-methylphenyl)-4-phenyloxan-2-one is sourced from PubChem (CID 127256657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).