4-phenylmethoxybenzoyl fluoride

C14H11FO2 — CID 154719359

IUPAC4-phenylmethoxybenzoyl fluoride
SMILESO=C(F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H11FO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyIAGQYPMPYZBFBK-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.38
Rot. Bonds4

About 4-phenylmethoxybenzoyl fluoride

4-phenylmethoxybenzoyl fluoride (PubChem CID 154719359) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 4-phenylmethoxybenzoyl fluoride.

Molecular Properties

Compound Name4-phenylmethoxybenzoyl fluoride
PubChem CID154719359
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name4-phenylmethoxybenzoyl fluoride
SMILESO=C(F)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C14H11FO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2
InChIKeyIAGQYPMPYZBFBK-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-phenylmethoxybenzoic acid
CID 68896574
2-fluoro-3-(4-phenylmethoxyphenyl)but-2-enoic acid
CID 79736838
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
2-amino-1-(4-phenylmethoxyphenyl)ethanone
CID 14579463
2-chloro-1-(4-phenylmethoxyphenyl)ethanone
CID 14579462
(4-methylphenyl)-(4-phenylmethoxyphenyl)methanone
CID 58133168
1-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 51050714
2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
N-methyl-4-phenylmethoxybenzamide
CID 2996745
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxybenzoyl fluoride?
The IUPAC name of 4-phenylmethoxybenzoyl fluoride (CID 154719359) is 4-phenylmethoxybenzoyl fluoride.
What is the SMILES notation for 4-phenylmethoxybenzoyl fluoride?
The canonical SMILES for 4-phenylmethoxybenzoyl fluoride is O=C(F)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 4-phenylmethoxybenzoyl fluoride?
The InChIKey is IAGQYPMPYZBFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9H,10H2.
What are the key properties of 4-phenylmethoxybenzoyl fluoride?
4-phenylmethoxybenzoyl fluoride has a molecular weight of 230.24 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxybenzoyl fluoride is sourced from PubChem (CID 154719359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).