2-[(2-ethylphenoxy)methyl]benzoic acid

C16H16O3 — CID 20987953

IUPAC2-[(2-ethylphenoxy)methyl]benzoic acid
SMILESCCc1ccccc1OCc1ccccc1C(=O)O
InChIInChI=1S/C16H16O3/c1-2-12-7-4-6-10-15(12)19-11-13-8-3-5-9-14(13)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyMBCGCRHWTHULEQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.53
Rot. Bonds5

About 2-[(2-ethylphenoxy)methyl]benzoic acid

2-[(2-ethylphenoxy)methyl]benzoic acid (PubChem CID 20987953) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2-[(2-ethylphenoxy)methyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-ethylphenoxy)methyl]benzoic acid
PubChem CID20987953
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2-[(2-ethylphenoxy)methyl]benzoic acid
SMILESCCc1ccccc1OCc1ccccc1C(=O)O
InChIInChI=1S/C16H16O3/c1-2-12-7-4-6-10-15(12)19-11-13-8-3-5-9-14(13)16(17)18/h3-10H,2,11H2,1H3,(H,17,18)
InChIKeyMBCGCRHWTHULEQ-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-ethylphenoxy)methyl]-2-fluorobenzoic acid
CID 107119721
2-[(2-ethylphenoxy)methyl]benzoyl chloride
CID 19755754
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
2-[(2-propan-2-ylphenoxy)methyl]benzoic acid
CID 20987862
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
2-ethylbenzoic acid;tungsten
CID 23518478
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
2-[(2-pentylphenyl)methoxy]benzoic acid
CID 67780957
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethylphenoxy)methyl]benzoic acid?
The IUPAC name of 2-[(2-ethylphenoxy)methyl]benzoic acid (CID 20987953) is 2-[(2-ethylphenoxy)methyl]benzoic acid.
What is the SMILES notation for 2-[(2-ethylphenoxy)methyl]benzoic acid?
The canonical SMILES for 2-[(2-ethylphenoxy)methyl]benzoic acid is CCc1ccccc1OCc1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-ethylphenoxy)methyl]benzoic acid?
The InChIKey is MBCGCRHWTHULEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-2-12-7-4-6-10-15(12)19-11-13-8-3-5-9-14(13)16(17)18/h3-10H,2,11H2,1H3,(H,17,18).
What are the key properties of 2-[(2-ethylphenoxy)methyl]benzoic acid?
2-[(2-ethylphenoxy)methyl]benzoic acid has a molecular weight of 256.30 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethylphenoxy)methyl]benzoic acid is sourced from PubChem (CID 20987953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).