methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate

C14H17ClO5 — CID 100929809

IUPACmethyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H](C)O[C@@H]1c1cc(OC)ccc1Cl
InChIInChI=1S/C14H17ClO5/c1-8-19-12(7-13(16)18-3)14(20-8)10-6-9(17-2)4-5-11(10)15/h4-6,8,12,14H,7H2,1-3H3/t8-,12-,14-/m1/s1
InChIKeyQFOUGDFAFZOXHI-IHPUGEDLSA-N
MW300.74 g/mol
LogP2.71
Rot. Bonds4

About methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate

methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate (PubChem CID 100929809) has the molecular formula C14H17ClO5 and a molecular weight of 300.74 g/mol. Its IUPAC name is methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate
PubChem CID100929809
Molecular FormulaC14H17ClO5
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Namemethyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate
SMILESCOC(=O)C[C@H]1O[C@@H](C)O[C@@H]1c1cc(OC)ccc1Cl
InChIInChI=1S/C14H17ClO5/c1-8-19-12(7-13(16)18-3)14(20-8)10-6-9(17-2)4-5-11(10)15/h4-6,8,12,14H,7H2,1-3H3/t8-,12-,14-/m1/s1
InChIKeyQFOUGDFAFZOXHI-IHPUGEDLSA-N
XLogP2.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate with MolForge

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Related Compounds

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1H-indol-3-yl)acetate
CID 21449392
2-(2-chloro-5-methoxyphenyl)-2-oxoacetic acid
CID 117305828
methyl 2-(3-hydroxyimino-6-methoxy-1,2-dihydroinden-1-yl)acetate
CID 86650493
methyl 2-(7-methoxy-9-methyl-9H-fluoren-1-yl)acetate
CID 70633357
(1S,3S)-1-(2-chloro-5-nitrophenyl)-6-methoxy-3-methyl-3,4-dihydro-1H-isochromene
CID 102140324
methyl (4R,5S)-5-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolane-4-carboxylate
CID 90018589
1-(2-chloro-5-methoxyphenyl)prop-2-en-1-one
CID 130136741
(2-chloro-5-methoxyphenyl) propanoate
CID 91527041
2-[(2-chloro-5-methoxyphenyl)methyl]propanedioic acid
CID 67770104
methyl 2-[5-[(2-chloro-5-methoxyanilino)methyl]thiophen-2-yl]acetate
CID 82887614
methyl 2-(2-amino-5-methoxy-2,3-dihydro-1H-inden-1-yl)acetate
CID 166125952
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115040747

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate?
The IUPAC name of methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate (CID 100929809) is methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate is COC(=O)C[C@H]1O[C@@H](C)O[C@@H]1c1cc(OC)ccc1Cl.
What is the InChIKey of methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate?
The InChIKey is QFOUGDFAFZOXHI-IHPUGEDLSA-N. The full InChI is InChI=1S/C14H17ClO5/c1-8-19-12(7-13(16)18-3)14(20-8)10-6-9(17-2)4-5-11(10)15/h4-6,8,12,14H,7H2,1-3H3/t8-,12-,14-/m1/s1.
What are the key properties of methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate?
methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate has a molecular weight of 300.74 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4R,5R)-5-(2-chloro-5-methoxyphenyl)-2-methyl-1,3-dioxolan-4-yl]acetate is sourced from PubChem (CID 100929809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).