2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid

C22H20O3 — CID 155988744

IUPAC2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
SMILESCCc1cc(-c2ccccc2OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C22H20O3/c1-2-17-14-18(12-13-20(17)22(23)24)19-10-6-7-11-21(19)25-15-16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyQQWDRHRUIGHSCG-UHFFFAOYSA-N
MW332.40 g/mol
LogP5.19
Rot. Bonds6

About 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid

2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid (PubChem CID 155988744) has the molecular formula C22H20O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid.

Molecular Properties

Compound Name2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
PubChem CID155988744
Molecular FormulaC22H20O3
Molecular Weight332.40 g/mol
Exact Mass332.14
IUPAC Name2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid
SMILESCCc1cc(-c2ccccc2OCc2ccccc2)ccc1C(=O)O
InChIInChI=1S/C22H20O3/c1-2-17-14-18(12-13-20(17)22(23)24)19-10-6-7-11-21(19)25-15-16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,23,24)
InChIKeyQQWDRHRUIGHSCG-UHFFFAOYSA-N
XLogP5.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(2-phenylmethoxyphenyl)benzoic acid
CID 53228660
2-[2-chloro-4-(2-phenylmethoxyphenyl)phenyl]acetic acid
CID 176516188
2-oxo-5-(2-phenylmethoxyphenyl)-1H-pyridine-3-carboxylic acid
CID 53224525
methanol;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174530188
4-(2-phenylmethoxyphenyl)furan-2-carboxylic acid
CID 23062503
1-[4-(2-chlorophenyl)-2-phenylmethoxyphenyl]ethanone
CID 171037801
3-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987653
2-fluoro-4-(3-fluoro-4-phenylmethoxyphenyl)benzoic acid
CID 72704684
2-chloro-5-(2-phenylmethoxyphenyl)phenol
CID 53221551
ethanamine;2-phenylmethoxybicyclo[3.1.0]hexa-1,3,5-triene
CID 174428998
2-[(2-ethylphenoxy)methyl]benzoic acid
CID 20987953
1-[4-fluoro-2-(2-phenylmethoxyphenyl)phenyl]ethanone
CID 172649387

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid?
The IUPAC name of 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid (CID 155988744) is 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid.
What is the SMILES notation for 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid?
The canonical SMILES for 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid is CCc1cc(-c2ccccc2OCc2ccccc2)ccc1C(=O)O.
What is the InChIKey of 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid?
The InChIKey is QQWDRHRUIGHSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O3/c1-2-17-14-18(12-13-20(17)22(23)24)19-10-6-7-11-21(19)25-15-16-8-4-3-5-9-16/h3-14H,2,15H2,1H3,(H,23,24).
What are the key properties of 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid?
2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid has a molecular weight of 332.40 g/mol, XLogP of 5.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(2-phenylmethoxyphenyl)benzoic acid is sourced from PubChem (CID 155988744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).