(6R)-6-methyl-6-phenyloxan-2-one

C12H14O2 — CID 100971522

IUPAC(6R)-6-methyl-6-phenyloxan-2-one
SMILESC[C@]1(c2ccccc2)CCCC(=O)O1
InChIInChI=1S/C12H14O2/c1-12(9-5-8-11(13)14-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3/t12-/m1/s1
InChIKeyRHTROHWCPVJQJQ-GFCCVEGCSA-N
MW190.24 g/mol
LogP2.63
Rot. Bonds1

About (6R)-6-methyl-6-phenyloxan-2-one

(6R)-6-methyl-6-phenyloxan-2-one (PubChem CID 100971522) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (6R)-6-methyl-6-phenyloxan-2-one.

Molecular Properties

Compound Name(6R)-6-methyl-6-phenyloxan-2-one
PubChem CID100971522
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(6R)-6-methyl-6-phenyloxan-2-one
SMILESC[C@]1(c2ccccc2)CCCC(=O)O1
InChIInChI=1S/C12H14O2/c1-12(9-5-8-11(13)14-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3/t12-/m1/s1
InChIKeyRHTROHWCPVJQJQ-GFCCVEGCSA-N
XLogP2.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-methyl-6-phenyloxan-2-one?
The IUPAC name of (6R)-6-methyl-6-phenyloxan-2-one (CID 100971522) is (6R)-6-methyl-6-phenyloxan-2-one.
What is the SMILES notation for (6R)-6-methyl-6-phenyloxan-2-one?
The canonical SMILES for (6R)-6-methyl-6-phenyloxan-2-one is C[C@]1(c2ccccc2)CCCC(=O)O1.
What is the InChIKey of (6R)-6-methyl-6-phenyloxan-2-one?
The InChIKey is RHTROHWCPVJQJQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O2/c1-12(9-5-8-11(13)14-12)10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (6R)-6-methyl-6-phenyloxan-2-one?
(6R)-6-methyl-6-phenyloxan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-methyl-6-phenyloxan-2-one is sourced from PubChem (CID 100971522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).