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

C10H10Cl2O3 — CID 163756517

IUPAC[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C10H10Cl2O3/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,7,10,13H,4-5H2
InChIKeyLUNCRHBTTIJTHM-UHFFFAOYSA-N
MW249.09 g/mol
LogP2.40
Rot. Bonds2

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

[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 163756517) has the molecular formula C10H10Cl2O3 and a molecular weight of 249.09 g/mol. Its IUPAC name is [2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol
PubChem CID163756517
Molecular FormulaC10H10Cl2O3
Molecular Weight249.09 g/mol
Exact Mass248.00
IUPAC Name[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(c2ccc(Cl)cc2Cl)O1
InChIInChI=1S/C10H10Cl2O3/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,7,10,13H,4-5H2
InChIKeyLUNCRHBTTIJTHM-UHFFFAOYSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.09
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 114867994
(5R,6R)-5,6-dibromo-2-(2,4-dichlorophenyl)-1,3-dioxepane
CID 7032956
[(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
[(4S)-2-phenyl-1,3-dioxolan-4-yl]methanol
CID 10726056
[2-(2,4-dichlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methanol
CID 14872520
4-[4-(hydroxymethyl)-1,3-dioxolan-2-yl]phenol
CID 82112171
2-(5-bromo-2-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 82775367
2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolane
CID 137420222
2-(4-chloro-3-fluorophenyl)-4-(chloromethyl)-1,3-dioxolane
CID 82776123
4-[4-[4-[4-[[(2R,4R)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-2-(3-hydroxybutan-2-yl)-1,2,4-triazol-3-one
CID 129168240
[2-(5-methylthiophen-2-yl)-1,3-dioxolan-4-yl]methanol
CID 115094617

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol (CID 163756517) is [2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol is OCC1COC(c2ccc(Cl)cc2Cl)O1.
What is the InChIKey of [2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is LUNCRHBTTIJTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2O3/c11-6-1-2-8(9(12)3-6)10-14-5-7(4-13)15-10/h1-3,7,10,13H,4-5H2.
What are the key properties of [2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol?
[2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 249.09 g/mol, XLogP of 2.40, 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)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 163756517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).