(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one

C17H15ClO3 — CID 94185711

IUPAC(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
SMILESCC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO3/c1-11(19)12(2)21-16-9-5-14(6-10-16)17(20)13-3-7-15(18)8-4-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyUGIBXSPOZIFSQB-GFCCVEGCSA-N
MW302.76 g/mol
LogP3.93
Rot. Bonds5

About (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one

(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one (PubChem CID 94185711) has the molecular formula C17H15ClO3 and a molecular weight of 302.76 g/mol. Its IUPAC name is (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
PubChem CID94185711
Molecular FormulaC17H15ClO3
Molecular Weight302.76 g/mol
Exact Mass302.07
IUPAC Name(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one
SMILESCC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H15ClO3/c1-11(19)12(2)21-16-9-5-14(6-10-16)17(20)13-3-7-15(18)8-4-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyUGIBXSPOZIFSQB-GFCCVEGCSA-N
XLogP3.93
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-[4-[(2S)-3-oxobutan-2-yl]oxyphenoxy]butan-2-one
CID 1489408
(2S)-N-tert-butyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 8887369
N-carbamoyl-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4815395
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)phenoxy]propanamide
CID 4884528
2-(4-acetylphenoxy)-1-(4-chlorophenyl)propan-1-one
CID 60625305
(2R)-2-[4-(4-chlorobenzoyl)phenoxy]-N-propylpropanamide
CID 8887384
4-[2-[2-[4-(4-chlorobenzoyl)phenoxy]propanoyl]hydrazinyl]benzoic acid
CID 154646170
2-(4-chlorophenoxy)propanoate
CID 4556388
2-[4-(4-chlorobenzoyl)phenoxy]-N-piperidin-1-ylpropanamide
CID 154646156
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
1-(4-chlorophenyl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 43412314
(3R)-3-(3-chlorophenoxy)butan-2-one
CID 1489403

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one?
The IUPAC name of (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one (CID 94185711) is (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one.
What is the SMILES notation for (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one?
The canonical SMILES for (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one is CC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one?
The InChIKey is UGIBXSPOZIFSQB-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H15ClO3/c1-11(19)12(2)21-16-9-5-14(6-10-16)17(20)13-3-7-15(18)8-4-13/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one?
(3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one has a molecular weight of 302.76 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(4-chlorobenzoyl)phenoxy]butan-2-one is sourced from PubChem (CID 94185711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).