2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol

C13H17ClO3 — CID 117169652

IUPAC2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(Cc2ccc(Cl)cc2)OCC(CCO)O1
InChIInChI=1S/C13H17ClO3/c1-13(16-9-12(17-13)6-7-15)8-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3
InChIKeyGPKBHGDVIDNSHJ-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.40
Rot. Bonds4

About 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol

2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 117169652) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
PubChem CID117169652
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(Cc2ccc(Cl)cc2)OCC(CCO)O1
InChIInChI=1S/C13H17ClO3/c1-13(16-9-12(17-13)6-7-15)8-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3
InChIKeyGPKBHGDVIDNSHJ-UHFFFAOYSA-N
XLogP2.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(4-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169661
[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 82024324
4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
CID 117169658
2-[2-methyl-2-[(3-methylphenyl)methyl]-1,3-dioxolan-4-yl]ethanol
CID 117169452
2-[2-[(3-bromophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol
CID 117169464
2-[[4-(2-hydroxyethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
CID 117169568
2-[2-methyl-2-[(4-methylphenyl)methyl]-1,3-dioxolan-4-yl]acetic acid
CID 117169668
(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methanol;pentanoic acid
CID 90344798
2-[2-methyl-2-(piperidin-4-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168650
2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168537
2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169125
(2-benzyl-2-methyl-1,3-dioxolan-4-yl)methyl 3-methylbutanoate
CID 90344642

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol (CID 117169652) is 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol is CC1(Cc2ccc(Cl)cc2)OCC(CCO)O1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is GPKBHGDVIDNSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-13(16-9-12(17-13)6-7-15)8-10-2-4-11(14)5-3-10/h2-5,12,15H,6-9H2,1H3.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol?
2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 256.73 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117169652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).