(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one

C23H22O3 — CID 95560671

IUPAC(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22O3/c1-25-20-12-8-18(9-13-20)22(16-17-6-4-3-5-7-17)23(24)19-10-14-21(26-2)15-11-19/h3-15,22H,16H2,1-2H3/t22-/m1/s1
InChIKeyLSQPQMIEMBQSGT-JOCHJYFZSA-N
MW346.43 g/mol
LogP4.91
Rot. Bonds7

About (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one

(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one (PubChem CID 95560671) has the molecular formula C23H22O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
PubChem CID95560671
Molecular FormulaC23H22O3
Molecular Weight346.43 g/mol
Exact Mass346.16
IUPAC Name(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one
SMILESCOc1ccc(C(=O)[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C23H22O3/c1-25-20-12-8-18(9-13-20)22(16-17-6-4-3-5-7-17)23(24)19-10-14-21(26-2)15-11-19/h3-15,22H,16H2,1-2H3/t22-/m1/s1
InChIKeyLSQPQMIEMBQSGT-JOCHJYFZSA-N
XLogP4.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
(2S)-2-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 93090141
(2S,3S)-3-(4-methoxyphenyl)-2-methyl-1,4-diphenylbutan-1-one
CID 139118862
1-(4-tert-butylphenyl)-2,3-diphenylpropan-1-one
CID 135032816
(2S)-4,4,4-trifluoro-1-(4-methoxyphenyl)-2-phenylbutan-1-one
CID 129404550
[(2S)-1-(4-methoxyphenyl)-1-oxo-3-phenylpropan-2-yl] acetate
CID 15421892
2,3-bis[(4-methoxyphenyl)methyl]-1,4-diphenylbutane-1,4-dione
CID 14434324
3-[4-(4-methoxyphenoxy)phenyl]-2-(4-methoxyphenyl)propanoic acid
CID 20986100
1,2-bis(4-phenylmethoxyphenyl)butan-1-one
CID 70452916
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
(2R)-3-benzylsulfanyl-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 66559484
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673

Frequently Asked Questions

What is the IUPAC name of (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one?
The IUPAC name of (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one (CID 95560671) is (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one.
What is the SMILES notation for (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one?
The canonical SMILES for (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one is COc1ccc(C(=O)[C@H](Cc2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one?
The InChIKey is LSQPQMIEMBQSGT-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22O3/c1-25-20-12-8-18(9-13-20)22(16-17-6-4-3-5-7-17)23(24)19-10-14-21(26-2)15-11-19/h3-15,22H,16H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one?
(2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one has a molecular weight of 346.43 g/mol, XLogP of 4.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,2-bis(4-methoxyphenyl)-3-phenylpropan-1-one is sourced from PubChem (CID 95560671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).