2-(2-propylphenyl)acetic acid

C11H14O2 — CID 46897017

IUPAC2-(2-propylphenyl)acetic acid
SMILESCCCc1ccccc1CC(=O)O
InChIInChI=1S/C11H14O2/c1-2-5-9-6-3-4-7-10(9)8-11(12)13/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
InChIKeyUCKDGGKRUWUSQZ-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.27
Rot. Bonds4

About 2-(2-propylphenyl)acetic acid

2-(2-propylphenyl)acetic acid (PubChem CID 46897017) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(2-propylphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-propylphenyl)acetic acid
PubChem CID46897017
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name2-(2-propylphenyl)acetic acid
SMILESCCCc1ccccc1CC(=O)O
InChIInChI=1S/C11H14O2/c1-2-5-9-6-3-4-7-10(9)8-11(12)13/h3-4,6-7H,2,5,8H2,1H3,(H,12,13)
InChIKeyUCKDGGKRUWUSQZ-UHFFFAOYSA-N
XLogP2.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;2-(2-ethylphenyl)acetic acid
CID 70384426
CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-(2-ethylphenyl)acetic acid;hydrate;hydrochloride
CID 67720112
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
CID 21113142
bis(2-propylphenyl) carbonate
CID 66781525
2-[2-(3-phenylpropyl)phenyl]acetic acid
CID 23284627
carbonic acid;1,2-dihexylbenzene
CID 174444225
carbonic acid;1,2-dioctylbenzene
CID 174715227
ethane;N-(2-propylphenyl)acetamide
CID 142804217
(2-propylphenyl)methyl acetate
CID 18363688
butan-2-one;1-ethyl-2-propylbenzene;pentan-2-one
CID 143890723

Frequently Asked Questions

What is the IUPAC name of 2-(2-propylphenyl)acetic acid?
The IUPAC name of 2-(2-propylphenyl)acetic acid (CID 46897017) is 2-(2-propylphenyl)acetic acid.
What is the SMILES notation for 2-(2-propylphenyl)acetic acid?
The canonical SMILES for 2-(2-propylphenyl)acetic acid is CCCc1ccccc1CC(=O)O.
What is the InChIKey of 2-(2-propylphenyl)acetic acid?
The InChIKey is UCKDGGKRUWUSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-2-5-9-6-3-4-7-10(9)8-11(12)13/h3-4,6-7H,2,5,8H2,1H3,(H,12,13).
What are the key properties of 2-(2-propylphenyl)acetic acid?
2-(2-propylphenyl)acetic acid has a molecular weight of 178.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propylphenyl)acetic acid is sourced from PubChem (CID 46897017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).