4-(2-fluoroethoxy)-3-methylbenzoic acid

C10H11FO3 — CID 107673859

IUPAC4-(2-fluoroethoxy)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1OCCF
InChIInChI=1S/C10H11FO3/c1-7-6-8(10(12)13)2-3-9(7)14-5-4-11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyPDJWYRKJMSOXQP-UHFFFAOYSA-N
MW198.19 g/mol
LogP2.04
Rot. Bonds4

About 4-(2-fluoroethoxy)-3-methylbenzoic acid

4-(2-fluoroethoxy)-3-methylbenzoic acid (PubChem CID 107673859) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2-fluoroethoxy)-3-methylbenzoic acid
PubChem CID107673859
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name4-(2-fluoroethoxy)-3-methylbenzoic acid
SMILESCc1cc(C(=O)O)ccc1OCCF
InChIInChI=1S/C10H11FO3/c1-7-6-8(10(12)13)2-3-9(7)14-5-4-11/h2-3,6H,4-5H2,1H3,(H,12,13)
InChIKeyPDJWYRKJMSOXQP-UHFFFAOYSA-N
XLogP2.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methoxyethoxy)-3-methylbenzoic acid
CID 58551370
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
4-[3-(dimethylamino)propoxy]-3-methylbenzoic acid
CID 62702605
4-(3-hydroxy-3-methylbutoxy)-3-methylbenzoic acid
CID 107673552
4-[2-(2-fluorophenoxy)ethoxy]-3-methylbenzoic acid
CID 104651443
4-but-3-ynoxy-3-methylbenzoic acid
CID 106794680
3-methyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzoic acid
CID 104651426
3-methyl-4-(3-phenylpropoxy)benzoic acid
CID 62703449
4-[2-(2-chlorophenoxy)ethoxy]-3-methylbenzoic acid
CID 107673991
4-(2-tert-butylsulfonylethoxy)-3-methylbenzoic acid
CID 107673941
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145
3-methyl-4-(3-pyridin-4-ylpropoxy)benzoic acid
CID 62702591

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)-3-methylbenzoic acid?
The IUPAC name of 4-(2-fluoroethoxy)-3-methylbenzoic acid (CID 107673859) is 4-(2-fluoroethoxy)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2-fluoroethoxy)-3-methylbenzoic acid?
The canonical SMILES for 4-(2-fluoroethoxy)-3-methylbenzoic acid is Cc1cc(C(=O)O)ccc1OCCF.
What is the InChIKey of 4-(2-fluoroethoxy)-3-methylbenzoic acid?
The InChIKey is PDJWYRKJMSOXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-7-6-8(10(12)13)2-3-9(7)14-5-4-11/h2-3,6H,4-5H2,1H3,(H,12,13).
What are the key properties of 4-(2-fluoroethoxy)-3-methylbenzoic acid?
4-(2-fluoroethoxy)-3-methylbenzoic acid has a molecular weight of 198.19 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)-3-methylbenzoic acid is sourced from PubChem (CID 107673859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).