ethane;3-fluoro-5-phenylmethoxybenzoic acid

C16H17FO3 — CID 144722944

IUPACethane;3-fluoro-5-phenylmethoxybenzoic acid
SMILESCC.O=C(O)c1cc(F)cc(OCc2ccccc2)c1
InChIInChI=1S/C14H11FO3.C2H6/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10;1-2/h1-8H,9H2,(H,16,17);1-2H3
InChIKeyXUMPOOLDVDTMQP-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.13
Rot. Bonds4

About ethane;3-fluoro-5-phenylmethoxybenzoic acid

ethane;3-fluoro-5-phenylmethoxybenzoic acid (PubChem CID 144722944) has the molecular formula C16H17FO3 and a molecular weight of 276.31 g/mol. Its IUPAC name is ethane;3-fluoro-5-phenylmethoxybenzoic acid.

Molecular Properties

Compound Nameethane;3-fluoro-5-phenylmethoxybenzoic acid
PubChem CID144722944
Molecular FormulaC16H17FO3
Molecular Weight276.31 g/mol
Exact Mass276.12
IUPAC Nameethane;3-fluoro-5-phenylmethoxybenzoic acid
SMILESCC.O=C(O)c1cc(F)cc(OCc2ccccc2)c1
InChIInChI=1S/C14H11FO3.C2H6/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10;1-2/h1-8H,9H2,(H,16,17);1-2H3
InChIKeyXUMPOOLDVDTMQP-UHFFFAOYSA-N
XLogP4.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-phenylmethoxybenzoic acid
CID 18971714
3-fluoro-5-phenylmethoxybenzamide
CID 155798135
3-(2-methoxyethoxy)-5-phenylmethoxybenzoic acid
CID 21250893
(2S)-2-(3-fluoro-5-phenylmethoxyphenyl)-2-hydroxybutanoic acid
CID 10063602
3-fluoro-5-propoxybenzoic acid
CID 91636267
3-(2-methoxypropoxy)-5-phenylmethoxybenzoic acid
CID 67484587
4-phenylmethoxybenzoic acid
CID 68896574
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
1-fluoro-3-(methoxymethyl)-5-phenylmethoxybenzene
CID 118070659
3-ethoxy-4-fluoro-5-phenylmethoxybenzoic acid
CID 164895178
3-[(3-fluorophenyl)methoxy]benzoic acid
CID 6463764
3-fluoro-4-methyl-5-phenylmethoxybenzoic acid
CID 67217575

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-5-phenylmethoxybenzoic acid?
The IUPAC name of ethane;3-fluoro-5-phenylmethoxybenzoic acid (CID 144722944) is ethane;3-fluoro-5-phenylmethoxybenzoic acid.
What is the SMILES notation for ethane;3-fluoro-5-phenylmethoxybenzoic acid?
The canonical SMILES for ethane;3-fluoro-5-phenylmethoxybenzoic acid is CC.O=C(O)c1cc(F)cc(OCc2ccccc2)c1.
What is the InChIKey of ethane;3-fluoro-5-phenylmethoxybenzoic acid?
The InChIKey is XUMPOOLDVDTMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3.C2H6/c15-12-6-11(14(16)17)7-13(8-12)18-9-10-4-2-1-3-5-10;1-2/h1-8H,9H2,(H,16,17);1-2H3.
What are the key properties of ethane;3-fluoro-5-phenylmethoxybenzoic acid?
ethane;3-fluoro-5-phenylmethoxybenzoic acid has a molecular weight of 276.31 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-5-phenylmethoxybenzoic acid is sourced from PubChem (CID 144722944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).