(2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone

C18H18O3 — CID 12504135

IUPAC(2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone
SMILESCC1(C)OC(C(=O)c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C18H18O3/c1-18(2)20-16(14-11-7-4-8-12-14)17(21-18)15(19)13-9-5-3-6-10-13/h3-12,16-17H,1-2H3
InChIKeyXRFFGSLCMQKBED-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.76
Rot. Bonds3

About (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone

(2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone (PubChem CID 12504135) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone
PubChem CID12504135
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name(2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone
SMILESCC1(C)OC(C(=O)c2ccccc2)C(c2ccccc2)O1
InChIInChI=1S/C18H18O3/c1-18(2)20-16(14-11-7-4-8-12-14)17(21-18)15(19)13-9-5-3-6-10-13/h3-12,16-17H,1-2H3
InChIKeyXRFFGSLCMQKBED-UHFFFAOYSA-N
XLogP3.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethoxy-2-phenylacetophenone
CID 90571
1,1'-Oxybis-2-propanol dibenzoate
CID 101560
Propylene glycol dibenzoate
CID 517637
Chalcone epoxide
CID 92219
Benzoin ethyl ether
CID 101778
Methyl Benzoin
CID 98097
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
2-(2-(Benzoyloxy)propoxy)-1-propanol 1-benzoate
CID 89272
4-Fluorochalcone oxide
CID 162531
2-Oxo-2-phenylethyl 4-methylbenzoate
CID 570679
Benzoin acetate
CID 95416
DL-Benzoin benzoate
CID 246708

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone?
The IUPAC name of (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone (CID 12504135) is (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone.
What is the SMILES notation for (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone?
The canonical SMILES for (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone is CC1(C)OC(C(=O)c2ccccc2)C(c2ccccc2)O1.
What is the InChIKey of (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone?
The InChIKey is XRFFGSLCMQKBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-18(2)20-16(14-11-7-4-8-12-14)17(21-18)15(19)13-9-5-3-6-10-13/h3-12,16-17H,1-2H3.
What are the key properties of (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone?
(2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone has a molecular weight of 282.34 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl)-phenylmethanone is sourced from PubChem (CID 12504135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).