[(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone

C19H20O3 — CID 12504140

IUPAC[(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone
SMILESCc1ccc([C@H]2OC(C)(C)O[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O3/c1-13-9-11-15(12-10-13)17-18(22-19(2,3)21-17)16(20)14-7-5-4-6-8-14/h4-12,17-18H,1-3H3/t17-,18+/m1/s1
InChIKeyVXJWYSCEUYSMDG-MSOLQXFVSA-N
MW296.37 g/mol
LogP4.07
Rot. Bonds3

About [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone

[(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone (PubChem CID 12504140) has the molecular formula C19H20O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone
PubChem CID12504140
Molecular FormulaC19H20O3
Molecular Weight296.37 g/mol
Exact Mass296.14
IUPAC Name[(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone
SMILESCc1ccc([C@H]2OC(C)(C)O[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C19H20O3/c1-13-9-11-15(12-10-13)17-18(22-19(2,3)21-17)16(20)14-7-5-4-6-8-14/h4-12,17-18H,1-3H3/t17-,18+/m1/s1
InChIKeyVXJWYSCEUYSMDG-MSOLQXFVSA-N
XLogP4.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-Dimethoxy-2-phenylacetophenone
CID 90571
Chalcone epoxide
CID 92219
Benzoin ethyl ether
CID 101778
Methyl Benzoin
CID 98097
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
2-Oxo-2-phenylethyl 4-methylbenzoate
CID 570679
Benzoin acetate
CID 95416
Benzoin isobutyl ether
CID 90794
4-Phenylchalcone oxide
CID 150734
rac-(2R,3S)-2-benzoyl-3-phenyloxirane
CID 728562
4-(2-Methyl-1,3-dioxolan-2-yl)benzaldehyde
CID 11961584
Ethanone, 2,2-diethoxy-1,2-diphenyl-
CID 3084853

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone?
The IUPAC name of [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone (CID 12504140) is [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone.
What is the SMILES notation for [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone?
The canonical SMILES for [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone is Cc1ccc([C@H]2OC(C)(C)O[C@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone?
The InChIKey is VXJWYSCEUYSMDG-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H20O3/c1-13-9-11-15(12-10-13)17-18(22-19(2,3)21-17)16(20)14-7-5-4-6-8-14/h4-12,17-18H,1-3H3/t17-,18+/m1/s1.
What are the key properties of [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone?
[(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone has a molecular weight of 296.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-2,2-dimethyl-5-(4-methylphenyl)-1,3-dioxolan-4-yl]-phenylmethanone is sourced from PubChem (CID 12504140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).