1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one

C12H16O2 — CID 124500314

IUPAC1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc([C@@H](C)OC)cc1
InChIInChI=1S/C12H16O2/c1-4-12(13)11-7-5-10(6-8-11)9(2)14-3/h5-9H,4H2,1-3H3/t9-/m1/s1
InChIKeyWPBAGHQPJRPPDL-SECBINFHSA-N
MW192.26 g/mol
LogP2.99
Rot. Bonds4

About 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one

1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one (PubChem CID 124500314) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
PubChem CID124500314
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one
SMILESCCC(=O)c1ccc([C@@H](C)OC)cc1
InChIInChI=1S/C12H16O2/c1-4-12(13)11-7-5-10(6-8-11)9(2)14-3/h5-9H,4H2,1-3H3/t9-/m1/s1
InChIKeyWPBAGHQPJRPPDL-SECBINFHSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one (CID 124500314) is 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one is CCC(=O)c1ccc([C@@H](C)OC)cc1.
What is the InChIKey of 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one?
The InChIKey is WPBAGHQPJRPPDL-SECBINFHSA-N. The full InChI is InChI=1S/C12H16O2/c1-4-12(13)11-7-5-10(6-8-11)9(2)14-3/h5-9H,4H2,1-3H3/t9-/m1/s1.
What are the key properties of 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one?
1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1R)-1-methoxyethyl]phenyl]propan-1-one is sourced from PubChem (CID 124500314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).