5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol

C11H13ClO4 — CID 82778659

IUPAC5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol
SMILESCOc1ccc(C2OCC(CCl)O2)cc1O
InChIInChI=1S/C11H13ClO4/c1-14-10-3-2-7(4-9(10)13)11-15-6-8(5-12)16-11/h2-4,8,11,13H,5-6H2,1H3
InChIKeyYBTZKRICMMQUOQ-UHFFFAOYSA-N
MW244.67 g/mol
LogP2.05
Rot. Bonds3

About 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol

5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol (PubChem CID 82778659) has the molecular formula C11H13ClO4 and a molecular weight of 244.67 g/mol. Its IUPAC name is 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol
PubChem CID82778659
Molecular FormulaC11H13ClO4
Molecular Weight244.67 g/mol
Exact Mass244.05
IUPAC Name5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol
SMILESCOc1ccc(C2OCC(CCl)O2)cc1O
InChIInChI=1S/C11H13ClO4/c1-14-10-3-2-7(4-9(10)13)11-15-6-8(5-12)16-11/h2-4,8,11,13H,5-6H2,1H3
InChIKeyYBTZKRICMMQUOQ-UHFFFAOYSA-N
XLogP2.05
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.67
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol
CID 82778654
(2R,4R)-4-(chloromethyl)-2-(2-methoxyphenyl)-1,3-dioxolane
CID 36690087
4-(chloromethyl)-2-(4-ethylphenyl)-1,3-dioxolane
CID 79022148
4-(chloromethyl)-2-(3-methylphenyl)-1,3-dioxolane
CID 79022072
2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 82776123
4-(chloromethyl)-2-(3-fluorophenyl)-1,3-dioxolane
CID 82776808
4-[(2S,4S)-4-butyl-1,3-dioxolan-2-yl]-2-ethoxyphenol
CID 71138842
(2S,4R,5S)-2-(3,4-dimethoxyphenyl)-4,5-dimethyl-1,3-dioxane
CID 53392727
4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
CID 82112171
4-methoxybenzene-1,3-diol;2-methyloxirane
CID 131711455
oxidanium;2-methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol;propane-1,2-diol;hydrate
CID 161042496
5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-3-methoxy-1,2-thiazole
CID 131219533

Frequently Asked Questions

What is the IUPAC name of 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol?
The IUPAC name of 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol (CID 82778659) is 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol?
The canonical SMILES for 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol is COc1ccc(C2OCC(CCl)O2)cc1O.
What is the InChIKey of 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol?
The InChIKey is YBTZKRICMMQUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO4/c1-14-10-3-2-7(4-9(10)13)11-15-6-8(5-12)16-11/h2-4,8,11,13H,5-6H2,1H3.
What are the key properties of 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol?
5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol has a molecular weight of 244.67 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(chloromethyl)-1,3-dioxolan-2-yl]-2-methoxyphenol is sourced from PubChem (CID 82778659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).