(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one

C19H22O3 — CID 166438923

IUPAC(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
SMILESCOc1ccc(CCC(=O)[C@H](C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O3/c1-14(16-7-11-18(22-3)12-8-16)19(20)13-6-15-4-9-17(21-2)10-5-15/h4-5,7-12,14H,6,13H2,1-3H3/t14-/m1/s1
InChIKeyARGUWGRROIXJCJ-CQSZACIVSA-N
MW298.38 g/mol
LogP4.01
Rot. Bonds7

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

(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one (PubChem CID 166438923) has the molecular formula C19H22O3 and a molecular weight of 298.38 g/mol. Its IUPAC name is (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one.

Molecular Properties

Compound Name(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
PubChem CID166438923
Molecular FormulaC19H22O3
Molecular Weight298.38 g/mol
Exact Mass298.16
IUPAC Name(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one
SMILESCOc1ccc(CCC(=O)[C@H](C)c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H22O3/c1-14(16-7-11-18(22-3)12-8-16)19(20)13-6-15-4-9-17(21-2)10-5-15/h4-5,7-12,14H,6,13H2,1-3H3/t14-/m1/s1
InChIKeyARGUWGRROIXJCJ-CQSZACIVSA-N
XLogP4.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenyl)octan-3-one
CID 71426807
(4R)-4-amino-1-(4-methoxyphenyl)-5-methylhexan-3-one;hydrochloride
CID 159864162
3-(4-methoxyphenyl)-1-(4-propan-2-ylphenyl)propan-1-one
CID 43625070
(1R)-1-hydroxy-1-(4-methoxyphenyl)-4-phenylbutan-2-one
CID 135044338
potassium 3-(4-methoxyphenyl)propanoate
CID 146050841
3-(4-methoxyphenyl)-N-[(2R)-3-methylbutan-2-yl]propanamide
CID 94665559
5-[3-(4-methoxyphenyl)propanoyl]furan-2-carboxylic acid
CID 106946853
N-butan-2-yl-3-(4-methoxyphenyl)propanamide
CID 4681975
[5-(4-methoxyphenyl)-2-methyl-3-oxo-1-[4-(trifluoromethyl)phenyl]pentyl]carbamic acid
CID 154072762
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643562
1-(4-methoxyphenyl)-3-(4-propan-2-ylphenyl)propan-2-one
CID 62620617
[5-(4-bromophenyl)-1-(4-methoxyphenyl)-2-methyl-3-oxopentyl]-tert-butylcarbamic acid
CID 150717467

Frequently Asked Questions

What is the IUPAC name of (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one?
The IUPAC name of (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one (CID 166438923) is (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one.
What is the SMILES notation for (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one?
The canonical SMILES for (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one is COc1ccc(CCC(=O)[C@H](C)c2ccc(OC)cc2)cc1.
What is the InChIKey of (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one?
The InChIKey is ARGUWGRROIXJCJ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22O3/c1-14(16-7-11-18(22-3)12-8-16)19(20)13-6-15-4-9-17(21-2)10-5-15/h4-5,7-12,14H,6,13H2,1-3H3/t14-/m1/s1.
What are the key properties of (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one?
(4R)-1,4-bis(4-methoxyphenyl)pentan-3-one has a molecular weight of 298.38 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1,4-bis(4-methoxyphenyl)pentan-3-one is sourced from PubChem (CID 166438923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).