(3-fluorophenyl)methyl benzoate

C14H11FO2 — CID 44587008

IUPAC(3-fluorophenyl)methyl benzoate
SMILESO=C(OCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C14H11FO2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeySOXMVJFDVWBBTL-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.18
Rot. Bonds3

About (3-fluorophenyl)methyl benzoate

(3-fluorophenyl)methyl benzoate (PubChem CID 44587008) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is (3-fluorophenyl)methyl benzoate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl benzoate
PubChem CID44587008
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name(3-fluorophenyl)methyl benzoate
SMILESO=C(OCc1cccc(F)c1)c1ccccc1
InChIInChI=1S/C14H11FO2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2
InChIKeySOXMVJFDVWBBTL-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl benzoate?
The IUPAC name of (3-fluorophenyl)methyl benzoate (CID 44587008) is (3-fluorophenyl)methyl benzoate.
What is the SMILES notation for (3-fluorophenyl)methyl benzoate?
The canonical SMILES for (3-fluorophenyl)methyl benzoate is O=C(OCc1cccc(F)c1)c1ccccc1.
What is the InChIKey of (3-fluorophenyl)methyl benzoate?
The InChIKey is SOXMVJFDVWBBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2.
What are the key properties of (3-fluorophenyl)methyl benzoate?
(3-fluorophenyl)methyl benzoate has a molecular weight of 230.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl benzoate is sourced from PubChem (CID 44587008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).