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

C10H11ClO3 — CID 82778654

IUPAC3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol
SMILESOc1cccc(C2OCC(CCl)O2)c1
InChIInChI=1S/C10H11ClO3/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10,12H,5-6H2
InChIKeyGBPSPBLNGGWKCH-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.05
Rot. Bonds2

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

3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol (PubChem CID 82778654) has the molecular formula C10H11ClO3 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol.

Molecular Properties

Compound Name3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol
PubChem CID82778654
Molecular FormulaC10H11ClO3
Molecular Weight214.65 g/mol
Exact Mass214.04
IUPAC Name3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol
SMILESOc1cccc(C2OCC(CCl)O2)c1
InChIInChI=1S/C10H11ClO3/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10,12H,5-6H2
InChIKeyGBPSPBLNGGWKCH-UHFFFAOYSA-N
XLogP2.05
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol?
The IUPAC name of 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol (CID 82778654) is 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol.
What is the SMILES notation for 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol?
The canonical SMILES for 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol is Oc1cccc(C2OCC(CCl)O2)c1.
What is the InChIKey of 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol?
The InChIKey is GBPSPBLNGGWKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO3/c11-5-9-6-13-10(14-9)7-2-1-3-8(12)4-7/h1-4,9-10,12H,5-6H2.
What are the key properties of 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol?
3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol has a molecular weight of 214.65 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(chloromethyl)-1,3-dioxolan-2-yl]phenol is sourced from PubChem (CID 82778654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).