2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one

C14H15ClO3 — CID 53382868

IUPAC2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one
SMILESCC(C)OC1=CC(=O)OC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H15ClO3/c1-9(2)17-12-7-13(18-14(16)8-12)10-4-3-5-11(15)6-10/h3-6,8-9,13H,7H2,1-2H3
InChIKeyGVMKHNBYVAHWMD-UHFFFAOYSA-N
MW266.72 g/mol
LogP3.64
Rot. Bonds3

About 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one

2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one (PubChem CID 53382868) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one
PubChem CID53382868
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one
SMILESCC(C)OC1=CC(=O)OC(c2cccc(Cl)c2)C1
InChIInChI=1S/C14H15ClO3/c1-9(2)17-12-7-13(18-14(16)8-12)10-4-3-5-11(15)6-10/h3-6,8-9,13H,7H2,1-2H3
InChIKeyGVMKHNBYVAHWMD-UHFFFAOYSA-N
XLogP3.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 7007
Losigamone
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Benzenemethanol, 4-chloro-, 1-acetate
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2(5H)-Furanone, 5-[(R)-(2-chlorophenyl)hydroxymethyl]-4-methoxy-, (5S)-rel-
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9-(4-Chlorophenyl)-6,10-dioxaspiro[4.5]dec-8-en-7-one
CID 752490
(2S,3R)-2-(4-chlorophenyl)-3-methyl-2,3-dihydropyran-6-one
CID 16725269
4-methyl-6-phenyl-5,6-dihydro-2H-pyran-2-one
CID 2817525
4-Methoxy-6-phenyl-5,6-dihydro-2H-pyran-2-one
CID 12202125
3-(4-Chlorobenzylidene)-5-phenylfuran-2(3h)-one
CID 1551569
Mls002638792
CID 228445
5,6-Dimethyl-4-phenylmethoxypyran-2-one
CID 44601727

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one?
The IUPAC name of 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one (CID 53382868) is 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one is CC(C)OC1=CC(=O)OC(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one?
The InChIKey is GVMKHNBYVAHWMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c1-9(2)17-12-7-13(18-14(16)8-12)10-4-3-5-11(15)6-10/h3-6,8-9,13H,7H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one?
2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one has a molecular weight of 266.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-propan-2-yloxy-2,3-dihydropyran-6-one is sourced from PubChem (CID 53382868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).