[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol

C11H12Cl2O3 — CID 14872520

IUPAC[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(c2ccc(Cl)cc2Cl)OCC(CO)O1
InChIInChI=1S/C11H12Cl2O3/c1-11(15-6-8(5-14)16-11)9-3-2-7(12)4-10(9)13/h2-4,8,14H,5-6H2,1H3
InChIKeyNFZUBQHKYXWWNI-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.57
Rot. Bonds2

About [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol

[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol (PubChem CID 14872520) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
PubChem CID14872520
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
SMILESCC1(c2ccc(Cl)cc2Cl)OCC(CO)O1
InChIInChI=1S/C11H12Cl2O3/c1-11(15-6-8(5-14)16-11)9-3-2-7(12)4-10(9)13/h2-4,8,14H,5-6H2,1H3
InChIKeyNFZUBQHKYXWWNI-UHFFFAOYSA-N
XLogP2.57
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol (CID 14872520) is [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol is CC1(c2ccc(Cl)cc2Cl)OCC(CO)O1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
The InChIKey is NFZUBQHKYXWWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c1-11(15-6-8(5-14)16-11)9-3-2-7(12)4-10(9)13/h2-4,8,14H,5-6H2,1H3.
What are the key properties of [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol?
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol has a molecular weight of 263.12 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 14872520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).