(2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid

C17H15FO4 — CID 126455540

IUPAC(2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C[C@H](COCc1ccc(F)cc1)O2
InChIInChI=1S/C17H15FO4/c18-14-4-1-11(2-5-14)9-21-10-15-8-13-7-12(17(19)20)3-6-16(13)22-15/h1-7,15H,8-10H2,(H,19,20)/t15-/m1/s1
InChIKeyLHECRXMDTSKTDZ-OAHLLOKOSA-N
MW302.30 g/mol
LogP3.04
Rot. Bonds5

About (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid

(2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid (PubChem CID 126455540) has the molecular formula C17H15FO4 and a molecular weight of 302.30 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
PubChem CID126455540
Molecular FormulaC17H15FO4
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name(2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C[C@H](COCc1ccc(F)cc1)O2
InChIInChI=1S/C17H15FO4/c18-14-4-1-11(2-5-14)9-21-10-15-8-13-7-12(17(19)20)3-6-16(13)22-15/h1-7,15H,8-10H2,(H,19,20)/t15-/m1/s1
InChIKeyLHECRXMDTSKTDZ-OAHLLOKOSA-N
XLogP3.04
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid (CID 126455540) is (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid is O=C(O)c1ccc2c(c1)C[C@H](COCc1ccc(F)cc1)O2.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid?
The InChIKey is LHECRXMDTSKTDZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H15FO4/c18-14-4-1-11(2-5-14)9-21-10-15-8-13-7-12(17(19)20)3-6-16(13)22-15/h1-7,15H,8-10H2,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid?
(2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid has a molecular weight of 302.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methoxymethyl]-2,3-dihydro-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 126455540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).