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

C16H13ClO3 — CID 102107890

IUPAC(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C1OCCO1
InChIInChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)15(18)13-3-1-2-4-14(13)16-19-9-10-20-16/h1-8,16H,9-10H2
InChIKeyCBYWQTZVVFRVIF-UHFFFAOYSA-N
MW288.73 g/mol
LogP3.62
Rot. Bonds3

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

(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone (PubChem CID 102107890) has the molecular formula C16H13ClO3 and a molecular weight of 288.73 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone
PubChem CID102107890
Molecular FormulaC16H13ClO3
Molecular Weight288.73 g/mol
Exact Mass288.06
IUPAC Name(4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C1OCCO1
InChIInChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)15(18)13-3-1-2-4-14(13)16-19-9-10-20-16/h1-8,16H,9-10H2
InChIKeyCBYWQTZVVFRVIF-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

[8-(1,3-dioxan-2-yl)naphthalen-1-yl]-phenylmethanone
CID 10829354
1-[2-(4-chlorobenzoyl)phenyl]ethanone
CID 2800946
[4-(1,3-dioxolan-2-yl)phenyl]-phenylmethanone
CID 24726701
2-(4-chlorobenzoyl)-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52828045
(2-amino-3-chlorophenyl)-(4-chlorophenyl)methanone
CID 15634745
(3-chlorophenyl)-[4-(1,3-dioxolan-2-yl)phenyl]methanone
CID 24726718
2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
2-(4-chlorobenzoyl)-N-(dicyclopropylmethyl)benzamide
CID 55536405
4-(4-chlorobenzoyl)isochromen-1-one
CID 139052202
(4-chlorophenyl)-phenylmethanone dichloride
CID 22505815
2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
CID 11841438
2-[2-[diazo-(4-phenylphenyl)methyl]phenyl]-1,3-dioxolane
CID 25243098

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone (CID 102107890) is (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccccc1C1OCCO1.
What is the InChIKey of (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone?
The InChIKey is CBYWQTZVVFRVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClO3/c17-12-7-5-11(6-8-12)15(18)13-3-1-2-4-14(13)16-19-9-10-20-16/h1-8,16H,9-10H2.
What are the key properties of (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone?
(4-chlorophenyl)-[2-(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 (4-chlorophenyl)-[2-(1,3-dioxolan-2-yl)phenyl]methanone is sourced from PubChem (CID 102107890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).