(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane

C11H13ClO3 — CID 36690087

IUPAC(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane
SMILESCOc1ccccc1[C@@H]1OC[C@H](CCl)O1
InChIInChI=1S/C11H13ClO3/c1-13-10-5-3-2-4-9(10)11-14-7-8(6-12)15-11/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1
InChIKeyFGZZEMGDNLVORZ-GZMMTYOYSA-N
MW228.67 g/mol
LogP2.35
Rot. Bonds3

About (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane

(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane (PubChem CID 36690087) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane
PubChem CID36690087
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane
SMILESCOc1ccccc1[C@@H]1OC[C@H](CCl)O1
InChIInChI=1S/C11H13ClO3/c1-13-10-5-3-2-4-9(10)11-14-7-8(6-12)15-11/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1
InChIKeyFGZZEMGDNLVORZ-GZMMTYOYSA-N
XLogP2.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R,4R)-4-(chloromethyl)-2-(2-chlorophenyl)-1,3-dioxolane
CID 36690006
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
4-[(2S)-butan-2-yl]-2-(2-methoxyphenyl)-1,3-dioxolane
CID 71122177
5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol
CID 82778659
[(2R,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253898
[(2S,4S)-2-(2-methylphenyl)-1,3-dioxolan-4-yl]methanol
CID 94253899
2-[2-(2-ethoxyphenyl)-1,3-dioxolan-4-yl]acetonitrile
CID 82128978
5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-3-methoxy-1,2-thiazole
CID 131219533
(1S,4R,6R)-4-(2-methoxyphenyl)-3,7-dioxabicyclo[4.1.0]heptane
CID 100945529
4-(chloromethyl)-2-(4-ethylphenyl)-1,3-dioxolane
CID 79022148
4-(chloromethyl)-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1,3-dioxolane
CID 82776107
2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 114867994

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane (CID 36690087) is (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane is COc1ccccc1[C@@H]1OC[C@H](CCl)O1.
What is the InChIKey of (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane?
The InChIKey is FGZZEMGDNLVORZ-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-13-10-5-3-2-4-9(10)11-14-7-8(6-12)15-11/h2-5,8,11H,6-7H2,1H3/t8-,11+/m0/s1.
What are the key properties of (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane?
(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane has a molecular weight of 228.67 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 36690087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).