[(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone

C14H18O4 — CID 54245313

IUPAC[(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
SMILESCOC[C@@]1(C)OC[C@@](C)(C(=O)c2ccccc2)O1
InChIInChI=1S/C14H18O4/c1-13(9-17-14(2,18-13)10-16-3)12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyQSWNAVFLSUYJNR-KBPBESRZSA-N
MW250.29 g/mol
LogP2.04
Rot. Bonds4

About [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone

[(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone (PubChem CID 54245313) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
PubChem CID54245313
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name[(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
SMILESCOC[C@@]1(C)OC[C@@](C)(C(=O)c2ccccc2)O1
InChIInChI=1S/C14H18O4/c1-13(9-17-14(2,18-13)10-16-3)12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/t13-,14-/m0/s1
InChIKeyQSWNAVFLSUYJNR-KBPBESRZSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,4R)-2-benzyl-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 54564674
(3-methyl-1,4-dioxaspiro[4.4]nonan-3-yl)-phenylmethanone
CID 22416111
(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl benzoate
CID 163980482
methyl 2-benzoyloxirane-2-carboxylate
CID 14685242
(2-methyl-3,3-diphenyloxiran-2-yl)-phenylmethanone
CID 15402871
[(2R)-2-methyl-3,3-diphenyloxiran-2-yl]-phenylmethanone
CID 100931886
methyl 3-(methoxymethyl)-2-methyl-3-phenyloxirane-2-carboxylate
CID 103466339
(2-methylmorpholin-2-yl)-phenylmethanone
CID 175405520
benzyl 2-(methoxymethyl)oxirane-2-carboxylate
CID 134309660
[(2R,3S,4S)-3,4-dihydroxy-2-methyloxolan-2-yl]methyl benzoate
CID 170219507
benzyl (4S)-2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 67255511
1-benzoyl-5-methyl-3-oxabicyclo[3.1.0]hexan-2-one
CID 102391621

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The IUPAC name of [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone (CID 54245313) is [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The canonical SMILES for [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone is COC[C@@]1(C)OC[C@@](C)(C(=O)c2ccccc2)O1.
What is the InChIKey of [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
The InChIKey is QSWNAVFLSUYJNR-KBPBESRZSA-N. The full InChI is InChI=1S/C14H18O4/c1-13(9-17-14(2,18-13)10-16-3)12(15)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone?
[(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone has a molecular weight of 250.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-2-(methoxymethyl)-2,4-dimethyl-1,3-dioxolan-4-yl]-phenylmethanone is sourced from PubChem (CID 54245313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).