2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid

C14H18O5 — CID 117169594

IUPAC2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
SMILESCOc1ccccc1CC1(C)OCC(CC(=O)O)O1
InChIInChI=1S/C14H18O5/c1-14(18-9-11(19-14)7-13(15)16)8-10-5-3-4-6-12(10)17-2/h3-6,11H,7-9H2,1-2H3,(H,15,16)
InChIKeyBFBQDTZIMTVXCN-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid

2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid (PubChem CID 117169594) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
PubChem CID117169594
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid
SMILESCOc1ccccc1CC1(C)OCC(CC(=O)O)O1
InChIInChI=1S/C14H18O5/c1-14(18-9-11(19-14)7-13(15)16)8-10-5-3-4-6-12(10)17-2/h3-6,11H,7-9H2,1-2H3,(H,15,16)
InChIKeyBFBQDTZIMTVXCN-UHFFFAOYSA-N
XLogP1.84
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid (CID 117169594) is 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid is COc1ccccc1CC1(C)OCC(CC(=O)O)O1.
What is the InChIKey of 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid?
The InChIKey is BFBQDTZIMTVXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O5/c1-14(18-9-11(19-14)7-13(15)16)8-10-5-3-4-6-12(10)17-2/h3-6,11H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid?
2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid has a molecular weight of 266.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methoxyphenyl)methyl]-2-methyl-1,3-dioxolan-4-yl]acetic acid is sourced from PubChem (CID 117169594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).