3-(2-ethoxy-5-methylphenyl)pentanoic acid

C14H20O3 — CID 83958110

IUPAC3-(2-ethoxy-5-methylphenyl)pentanoic acid
SMILESCCOc1ccc(C)cc1C(CC)CC(=O)O
InChIInChI=1S/C14H20O3/c1-4-11(9-14(15)16)12-8-10(3)6-7-13(12)17-5-2/h6-8,11H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyZNSRBKOWUKAJGS-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.36
Rot. Bonds6

About 3-(2-ethoxy-5-methylphenyl)pentanoic acid

3-(2-ethoxy-5-methylphenyl)pentanoic acid (PubChem CID 83958110) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-(2-ethoxy-5-methylphenyl)pentanoic acid.

Molecular Properties

Compound Name3-(2-ethoxy-5-methylphenyl)pentanoic acid
PubChem CID83958110
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-(2-ethoxy-5-methylphenyl)pentanoic acid
SMILESCCOc1ccc(C)cc1C(CC)CC(=O)O
InChIInChI=1S/C14H20O3/c1-4-11(9-14(15)16)12-8-10(3)6-7-13(12)17-5-2/h6-8,11H,4-5,9H2,1-3H3,(H,15,16)
InChIKeyZNSRBKOWUKAJGS-UHFFFAOYSA-N
XLogP3.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-5-(2-ethoxy-5-methylphenyl)-3-methylpentanoic acid
CID 62941477
3-(2-methoxy-5-methylphenyl)hexanoic acid
CID 112501926
(2S)-2-amino-2-(2-ethoxy-5-methylphenyl)acetic acid
CID 7016959
4-(2-ethoxy-5-methylphenyl)-4-hydroxy-3-(propan-2-ylamino)butanoic acid
CID 82349047
1-ethoxy-2-hex-5-en-3-yl-4-methylbenzene
CID 83933692
1-amino-4-(2-ethoxy-5-methylphenyl)hexan-2-ol
CID 83933716
3-bromo-4-(2-ethoxy-5-methylphenyl)-4-oxobutanoic acid
CID 79785893
4-[[(1R)-1-(2-ethoxy-5-methylphenyl)ethyl]amino]-4-oxobutanoic acid
CID 42219989
5-(2-ethoxy-5-methylphenyl)-5,5-difluoro-3-methylpentanoic acid
CID 62942204
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
3-(5-tert-butyl-2-ethoxyphenyl)hexanoic acid
CID 83958349
4-amino-4-(2-ethoxy-5-methylphenyl)butanamide
CID 62301820

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-5-methylphenyl)pentanoic acid?
The IUPAC name of 3-(2-ethoxy-5-methylphenyl)pentanoic acid (CID 83958110) is 3-(2-ethoxy-5-methylphenyl)pentanoic acid.
What is the SMILES notation for 3-(2-ethoxy-5-methylphenyl)pentanoic acid?
The canonical SMILES for 3-(2-ethoxy-5-methylphenyl)pentanoic acid is CCOc1ccc(C)cc1C(CC)CC(=O)O.
What is the InChIKey of 3-(2-ethoxy-5-methylphenyl)pentanoic acid?
The InChIKey is ZNSRBKOWUKAJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-11(9-14(15)16)12-8-10(3)6-7-13(12)17-5-2/h6-8,11H,4-5,9H2,1-3H3,(H,15,16).
What are the key properties of 3-(2-ethoxy-5-methylphenyl)pentanoic acid?
3-(2-ethoxy-5-methylphenyl)pentanoic acid has a molecular weight of 236.31 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-5-methylphenyl)pentanoic acid is sourced from PubChem (CID 83958110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).