4-fluoro-2-(phenylmethoxymethyl)benzoic acid

C15H13FO3 — CID 107908401

IUPAC4-fluoro-2-(phenylmethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1COCc1ccccc1
InChIInChI=1S/C15H13FO3/c16-13-6-7-14(15(17)18)12(8-13)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)
InChIKeyXZECXJBWEMBDQR-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.24
Rot. Bonds5

About 4-fluoro-2-(phenylmethoxymethyl)benzoic acid

4-fluoro-2-(phenylmethoxymethyl)benzoic acid (PubChem CID 107908401) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is 4-fluoro-2-(phenylmethoxymethyl)benzoic acid.

Molecular Properties

Compound Name4-fluoro-2-(phenylmethoxymethyl)benzoic acid
PubChem CID107908401
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name4-fluoro-2-(phenylmethoxymethyl)benzoic acid
SMILESO=C(O)c1ccc(F)cc1COCc1ccccc1
InChIInChI=1S/C15H13FO3/c16-13-6-7-14(15(17)18)12(8-13)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18)
InChIKeyXZECXJBWEMBDQR-UHFFFAOYSA-N
XLogP3.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-4-fluorobenzoic acid
CID 68960960
4-fluoro-2-(methoxymethyl)benzoic acid
CID 91235487
2-fluoro-3-(phenylmethoxymethyl)benzoic acid
CID 107119649
2-(benzylsulfanylmethyl)-4-fluorobenzoic acid
CID 114014735
2-(but-3-ynoxymethyl)-4-fluorobenzoic acid
CID 107908800
4-fluoro-2-[(2-iodophenoxy)methyl]benzoic acid
CID 104637811
2-(but-3-enoxymethyl)-4-fluorobenzoic acid
CID 107908390
5-fluoro-2-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 63292655
2-ethyl-4-fluorobenzoic acid
CID 22101376
2-[(2,4-difluorophenoxy)methyl]-4-fluorobenzoic acid
CID 107908427
5-bromo-2-(phenylmethoxymethyl)benzoic acid
CID 102538116
1-(2-chloro-4-fluorophenyl)-2-phenylmethoxyethanone
CID 146009455

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(phenylmethoxymethyl)benzoic acid?
The IUPAC name of 4-fluoro-2-(phenylmethoxymethyl)benzoic acid (CID 107908401) is 4-fluoro-2-(phenylmethoxymethyl)benzoic acid.
What is the SMILES notation for 4-fluoro-2-(phenylmethoxymethyl)benzoic acid?
The canonical SMILES for 4-fluoro-2-(phenylmethoxymethyl)benzoic acid is O=C(O)c1ccc(F)cc1COCc1ccccc1.
What is the InChIKey of 4-fluoro-2-(phenylmethoxymethyl)benzoic acid?
The InChIKey is XZECXJBWEMBDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c16-13-6-7-14(15(17)18)12(8-13)10-19-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18).
What are the key properties of 4-fluoro-2-(phenylmethoxymethyl)benzoic acid?
4-fluoro-2-(phenylmethoxymethyl)benzoic acid has a molecular weight of 260.26 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(phenylmethoxymethyl)benzoic acid is sourced from PubChem (CID 107908401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).