(3R)-3-(3-chlorophenoxy)butan-2-one

C10H11ClO2 — CID 1489403

IUPAC(3R)-3-(3-chlorophenoxy)butan-2-one
SMILESCC(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-7(12)8(2)13-10-5-3-4-9(11)6-10/h3-6,8H,1-2H3/t8-/m1/s1
InChIKeyQXXKQBYBMMJKAO-MRVPVSSYSA-N
MW198.65 g/mol
LogP2.70
Rot. Bonds3

About (3R)-3-(3-chlorophenoxy)butan-2-one

(3R)-3-(3-chlorophenoxy)butan-2-one (PubChem CID 1489403) has the molecular formula C10H11ClO2 and a molecular weight of 198.65 g/mol. Its IUPAC name is (3R)-3-(3-chlorophenoxy)butan-2-one.

Molecular Properties

Compound Name(3R)-3-(3-chlorophenoxy)butan-2-one
PubChem CID1489403
Molecular FormulaC10H11ClO2
Molecular Weight198.65 g/mol
Exact Mass198.04
IUPAC Name(3R)-3-(3-chlorophenoxy)butan-2-one
SMILESCC(=O)[C@@H](C)Oc1cccc(Cl)c1
InChIInChI=1S/C10H11ClO2/c1-7(12)8(2)13-10-5-3-4-9(11)6-10/h3-6,8H,1-2H3/t8-/m1/s1
InChIKeyQXXKQBYBMMJKAO-MRVPVSSYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chlorophenoxy)-2-methylpent-1-en-3-one
CID 105113093
2-(3-chlorophenoxy)propanehydrazide
CID 2832641
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2S)-2-(3-chlorophenoxy)-N,N-diethylpropanamide
CID 40538344
(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294
(2S)-N-tert-butyl-2-(3-chlorophenoxy)propanamide
CID 966263
(2R)-2-(3-chlorophenoxy)-N,N-bis(2-methylpropyl)propanamide
CID 897565
2-(3-chlorophenoxy)-N-methyl-N-(2-methylpropyl)propanamide
CID 134058549
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-(3-acetamido-2-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 134019227

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chlorophenoxy)butan-2-one?
The IUPAC name of (3R)-3-(3-chlorophenoxy)butan-2-one (CID 1489403) is (3R)-3-(3-chlorophenoxy)butan-2-one.
What is the SMILES notation for (3R)-3-(3-chlorophenoxy)butan-2-one?
The canonical SMILES for (3R)-3-(3-chlorophenoxy)butan-2-one is CC(=O)[C@@H](C)Oc1cccc(Cl)c1.
What is the InChIKey of (3R)-3-(3-chlorophenoxy)butan-2-one?
The InChIKey is QXXKQBYBMMJKAO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H11ClO2/c1-7(12)8(2)13-10-5-3-4-9(11)6-10/h3-6,8H,1-2H3/t8-/m1/s1.
What are the key properties of (3R)-3-(3-chlorophenoxy)butan-2-one?
(3R)-3-(3-chlorophenoxy)butan-2-one has a molecular weight of 198.65 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chlorophenoxy)butan-2-one is sourced from PubChem (CID 1489403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).