(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone

C16H13ClO3 — CID 24726718

IUPAC(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClO3/c17-14-3-1-2-13(10-14)15(18)11-4-6-12(7-5-11)16-19-8-9-20-16/h1-7,10,16H,8-9H2
InChIKeyIAKCSERNBZQPAM-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.62
Rot. Bonds3

About (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone

(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone (PubChem CID 24726718) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
PubChem CID24726718
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(C2OCCO2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C16H13ClO3/c17-14-3-1-2-13(10-14)15(18)11-4-6-12(7-5-11)16-19-8-9-20-16/h1-7,10,16H,8-9H2
InChIKeyIAKCSERNBZQPAM-UHFFFAOYSA-N
XLogP3.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chlorophenyl)-5-oxo-2H-furan-2-yl]methyl 4-chlorobenzoate
CID 487994
3-[3-(3-Chlorophenyl)phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72205799
3-[4-(3-Chlorophenyl)phenyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one
CID 72206000
2-(4-Acetylphenyl)-1,3-dioxolane
CID 569179
3-(1,3-Dioxolan-2-YL)benzophenone
CID 10515088
(4-(2-Methyl-1,3-dioxolan-2-yl)phenyl)phenylmethanone
CID 10492107
Ethyl 4-[2-(4-chlorophenyl)-2-oxoethyl]benzoate
CID 134833299
Uvecryl P 36
CID 4535415
Ethyl 3'-chloro(1,1'-biphenyl)-4-carboxylate
CID 53417171
2-(3-Chlorophenyl)ethyl benzoate
CID 132838767
[2-(Diethoxymethyl)-phenyl](4-chloro-2-fluorophenyl)-methanone
CID 18357490
[4-Chloro-2-(diethoxymethyl)phenyl]-(4-chloro-2-fluorophenyl)methanone
CID 18357529

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The IUPAC name of (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone (CID 24726718) is (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone.
What is the SMILES notation for (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The canonical SMILES for (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone is O=C(c1ccc(C2OCCO2)cc1)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
The InChIKey is IAKCSERNBZQPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-14-3-1-2-13(10-14)15(18)11-4-6-12(7-5-11)16-19-8-9-20-16/h1-7,10,16H,8-9H2.
What are the key properties of (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone?
(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone has a molecular weight of 288.73 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone is sourced from PubChem (CID 24726718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).