2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid

C19H19FO6 — CID 169175472

IUPAC2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
SMILESCOc1ccc(COc2c(C3OCCO3)ccc(CC(=O)O)c2F)cc1
InChIInChI=1S/C19H19FO6/c1-23-14-5-2-12(3-6-14)11-26-18-15(19-24-8-9-25-19)7-4-13(17(18)20)10-16(21)22/h2-7,19H,8-11H2,1H3,(H,21,22)
InChIKeyXNNQCABEVOPMNN-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.09
Rot. Bonds7

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

2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid (PubChem CID 169175472) has the molecular formula C19H19FO6 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
PubChem CID169175472
Molecular FormulaC19H19FO6
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
SMILESCOc1ccc(COc2c(C3OCCO3)ccc(CC(=O)O)c2F)cc1
InChIInChI=1S/C19H19FO6/c1-23-14-5-2-12(3-6-14)11-26-18-15(19-24-8-9-25-19)7-4-13(17(18)20)10-16(21)22/h2-7,19H,8-11H2,1H3,(H,21,22)
InChIKeyXNNQCABEVOPMNN-UHFFFAOYSA-N
XLogP3.09
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 169175415
2-[4-bromo-3-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]-1,3-dioxolane
CID 169175235
2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenol
CID 170171124
benzyl N-[4-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]carbamate
CID 169175352
methyl 3-[2-(1,3-dioxolan-2-yl)-3-[(4-methoxyphenyl)methoxy]phenyl]cyclobutane-1-carboxylate
CID 176998448
2-[3,5-dibromo-4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 10766372
2-(4-methoxyphenyl)acetic acid;oxolane
CID 67598100
N'-(3-bromophenyl)-3-(5,5-dimethyl-1,3-dioxan-2-yl)-5-fluoro-4-[(4-methoxyphenyl)methoxy]benzohydrazide
CID 163229966
[3-(carbonofluoridoyloxymethyl)-5-(methoxymethyl)-4-[(4-methoxyphenyl)methoxy]phenyl]methyl carbonofluoridate
CID 142513519
2-[5-chloro-2-[(4-methoxyphenyl)methoxy]phenyl]acetic acid
CID 139026989
2,3,5-trifluoro-4-[(4-methoxyphenyl)methoxy]-N-[(4-methylcyclohexyl)methyl]benzamide
CID 171801997
2-(5-bromo-3-methoxy-2-phenylmethoxyphenyl)-1,3-dioxolane
CID 164893025

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid (CID 169175472) is 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid is COc1ccc(COc2c(C3OCCO3)ccc(CC(=O)O)c2F)cc1.
What is the InChIKey of 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid?
The InChIKey is XNNQCABEVOPMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO6/c1-23-14-5-2-12(3-6-14)11-26-18-15(19-24-8-9-25-19)7-4-13(17(18)20)10-16(21)22/h2-7,19H,8-11H2,1H3,(H,21,22).
What are the key properties of 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid?
2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid has a molecular weight of 362.35 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-dioxolan-2-yl)-2-fluoro-3-[(4-methoxyphenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 169175472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).