2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid

C17H16O5 — CID 68872970

IUPAC2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
SMILESCOC(=O)c1ccccc1COc1cccc(CC(=O)O)c1
InChIInChI=1S/C17H16O5/c1-21-17(20)15-8-3-2-6-13(15)11-22-14-7-4-5-12(9-14)10-16(18)19/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPNAUXNBDXYJCKZ-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.68
Rot. Bonds6

About 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid

2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid (PubChem CID 68872970) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
PubChem CID68872970
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid
SMILESCOC(=O)c1ccccc1COc1cccc(CC(=O)O)c1
InChIInChI=1S/C17H16O5/c1-21-17(20)15-8-3-2-6-13(15)11-22-14-7-4-5-12(9-14)10-16(18)19/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyPNAUXNBDXYJCKZ-UHFFFAOYSA-N
XLogP2.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-bromophenoxy)methyl]benzoic acid;methyl 2-[(3-bromophenoxy)methyl]benzoate
CID 67878013
2-acetyl-5-[(2-methoxycarbonylphenyl)methoxy]benzoic acid
CID 91863774
methyl 2-[[4-(hydroxymethyl)phenoxy]methyl]benzoate
CID 82975676
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
2-[3-(2-methoxycarbonylphenyl)phenyl]acetic acid
CID 70011966
methyl 2-methyl-6-[(3-phenylmethoxyphenoxy)methyl]benzoate
CID 22241445
methyl (E)-3-methoxy-2-[2-[[3-(phenoxymethyl)phenoxy]methyl]phenyl]prop-2-enoate
CID 14857839
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7653271
2-[2-[[3-[(hydroxyamino)methyl]phenoxy]methyl]phenyl]-3-methoxyprop-2-enoic acid
CID 123619598
2-[3-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]acetic acid
CID 61398198
methyl (E)-2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]-3-methoxyprop-2-enoate
CID 70010332
methyl 2-[[3-[4-hydroxy-6-oxo-5-(2-phenylethylsulfanyl)pyran-2-yl]phenoxy]methyl]benzoate
CID 54710562

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid?
The IUPAC name of 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid (CID 68872970) is 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid?
The canonical SMILES for 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid is COC(=O)c1ccccc1COc1cccc(CC(=O)O)c1.
What is the InChIKey of 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid?
The InChIKey is PNAUXNBDXYJCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-21-17(20)15-8-3-2-6-13(15)11-22-14-7-4-5-12(9-14)10-16(18)19/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid?
2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid has a molecular weight of 300.31 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methoxycarbonylphenyl)methoxy]phenyl]acetic acid is sourced from PubChem (CID 68872970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).