(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one

C22H20O3 — CID 2571565

IUPAC(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
SMILESCOc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-16(22(23)19-10-12-20(24-2)13-11-19)25-21-14-8-18(9-15-21)17-6-4-3-5-7-17/h3-16H,1-2H3/t16-/m1/s1
InChIKeyZPCVPLHCEFBYDB-MRXNPFEDSA-N
MW332.40 g/mol
LogP5.01
Rot. Bonds6

About (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one

(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one (PubChem CID 2571565) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
PubChem CID2571565
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one
SMILESCOc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C22H20O3/c1-16(22(23)19-10-12-20(24-2)13-11-19)25-21-14-8-18(9-15-21)17-6-4-3-5-7-17/h3-16H,1-2H3/t16-/m1/s1
InChIKeyZPCVPLHCEFBYDB-MRXNPFEDSA-N
XLogP5.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
1-(4-methoxyphenyl)-2-(2-methylphenoxy)propan-1-one
CID 43413172
N-(4-methoxyphenyl)-2-(4-phenylphenoxy)propanamide
CID 4951720
4-[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7503349
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-phenylbenzoyl)amino]acetate
CID 8921292
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
1-phenyl-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43411936
(4-methoxyphenyl)-[4-(4-phenylphenoxy)phenyl]methanone
CID 146206951
1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
N-methyl-2-(4-phenylphenoxy)-N-propan-2-ylpropanamide
CID 78859617
2-(4-methoxyphenoxy)-1,2-diphenylethanone
CID 20722156

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one?
The IUPAC name of (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one (CID 2571565) is (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one is COc1ccc(C(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one?
The InChIKey is ZPCVPLHCEFBYDB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20O3/c1-16(22(23)19-10-12-20(24-2)13-11-19)25-21-14-8-18(9-15-21)17-6-4-3-5-7-17/h3-16H,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one?
(2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one has a molecular weight of 332.40 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)-2-(4-phenylphenoxy)propan-1-one is sourced from PubChem (CID 2571565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).