2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid

C14H18O5 — CID 151481552

IUPAC2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(C2COC(C)(C)O2)cc1
InChIInChI=1S/C14H18O5/c1-14(2)18-8-11(19-14)9-4-6-10(7-5-9)12(17-3)13(15)16/h4-7,11-12H,8H2,1-3H3,(H,15,16)
InChIKeyPMOPEJPJXMURQV-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.28
Rot. Bonds4

About 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid

2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid (PubChem CID 151481552) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid
PubChem CID151481552
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)c1ccc(C2COC(C)(C)O2)cc1
InChIInChI=1S/C14H18O5/c1-14(2)18-8-11(19-14)9-4-6-10(7-5-9)12(17-3)13(15)16/h4-7,11-12H,8H2,1-3H3,(H,15,16)
InChIKeyPMOPEJPJXMURQV-UHFFFAOYSA-N
XLogP2.28
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methylsulfonylacetate
CID 70474906
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]acetic acid
CID 117344858
(4R)-2,2-dimethyl-4-phenyl-1,3-dioxolane
CID 11344328
4-(2,2-dimethyl-1,3-dioxolan-4-yl)aniline
CID 117275390
4-[4-(chloromethyl)phenyl]-2,2-dimethyl-1,3-dioxolane;(1R)-1-[4-(chloromethyl)phenyl]ethane-1,2-diol;2-methoxy-2-methylpropane
CID 158553920
4-(4-ethynylphenyl)-2,2-dimethyl-1,3-dioxolane
CID 151208021
2-[4-(difluoromethyl)phenyl]-2-methoxyacetic acid
CID 116769538
2-[4-(4-chlorophenyl)phenyl]-2-methoxyacetic acid
CID 70572133
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]propanoic acid
CID 117379183
(2R)-2-methoxy-2-(4-phenylphenyl)acetic acid
CID 124603467
2-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-oxoacetic acid
CID 117378520
2-methoxy-2-(4-methoxycarbonylphenyl)acetic acid
CID 21261883

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid?
The IUPAC name of 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid (CID 151481552) is 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid?
The canonical SMILES for 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid is COC(C(=O)O)c1ccc(C2COC(C)(C)O2)cc1.
What is the InChIKey of 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid?
The InChIKey is PMOPEJPJXMURQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-14(2)18-8-11(19-14)9-4-6-10(7-5-9)12(17-3)13(15)16/h4-7,11-12H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid?
2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid has a molecular weight of 266.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-dimethyl-1,3-dioxolan-4-yl)phenyl]-2-methoxyacetic acid is sourced from PubChem (CID 151481552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).