(3-fluoro-2-phenylmethoxyphenyl) acetate

C15H13FO3 — CID 10491566

IUPAC(3-fluoro-2-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1cccc(F)c1OCc1ccccc1
InChIInChI=1S/C15H13FO3/c1-11(17)19-14-9-5-8-13(16)15(14)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyDEPPCNYTNOWGMW-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.33
Rot. Bonds4

About (3-fluoro-2-phenylmethoxyphenyl) acetate

(3-fluoro-2-phenylmethoxyphenyl) acetate (PubChem CID 10491566) has the molecular formula C15H13FO3 and a molecular weight of 260.26 g/mol. Its IUPAC name is (3-fluoro-2-phenylmethoxyphenyl) acetate.

Molecular Properties

Compound Name(3-fluoro-2-phenylmethoxyphenyl) acetate
PubChem CID10491566
Molecular FormulaC15H13FO3
Molecular Weight260.26 g/mol
Exact Mass260.08
IUPAC Name(3-fluoro-2-phenylmethoxyphenyl) acetate
SMILESCC(=O)Oc1cccc(F)c1OCc1ccccc1
InChIInChI=1S/C15H13FO3/c1-11(17)19-14-9-5-8-13(16)15(14)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3
InChIKeyDEPPCNYTNOWGMW-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-fluoro-3-methyl-2-phenylmethoxyphenyl) acetate
CID 122531326
(2-acetyloxy-3-fluorophenyl) acetate
CID 540078
(2-methyl-6-phenylmethoxyphenyl) acetate
CID 67719682
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
(2,3,4,5,6-pentafluorophenyl) 2-(2-phenylmethoxyphenyl)acetate
CID 87805473
methyl 4-acetyloxy-8-phenylmethoxynaphthalene-2-carboxylate
CID 10043459
acetyl acetate;(2-fluorophenyl) acetate
CID 158232558
[2,4-bis(phenylmethoxy)phenyl] acetate
CID 57281184
3,4-difluoro-2-phenylmethoxybenzoic acid
CID 151244602
2,4-difluoro-3-phenylmethoxybenzaldehyde
CID 74891943
N-[(3-fluoro-2-phenylmethoxyphenyl)methyl]-2-methylpropan-2-amine
CID 112610717
methyl 3-[(3-fluoro-2-phenylmethoxybenzoyl)amino]but-2-enoate
CID 76598642

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-phenylmethoxyphenyl) acetate?
The IUPAC name of (3-fluoro-2-phenylmethoxyphenyl) acetate (CID 10491566) is (3-fluoro-2-phenylmethoxyphenyl) acetate.
What is the SMILES notation for (3-fluoro-2-phenylmethoxyphenyl) acetate?
The canonical SMILES for (3-fluoro-2-phenylmethoxyphenyl) acetate is CC(=O)Oc1cccc(F)c1OCc1ccccc1.
What is the InChIKey of (3-fluoro-2-phenylmethoxyphenyl) acetate?
The InChIKey is DEPPCNYTNOWGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FO3/c1-11(17)19-14-9-5-8-13(16)15(14)18-10-12-6-3-2-4-7-12/h2-9H,10H2,1H3.
What are the key properties of (3-fluoro-2-phenylmethoxyphenyl) acetate?
(3-fluoro-2-phenylmethoxyphenyl) acetate has a molecular weight of 260.26 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-phenylmethoxyphenyl) acetate is sourced from PubChem (CID 10491566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).