2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid

C20H24O3 — CID 21113142

IUPAC2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
SMILESCCCc1cccc(Oc2ccccc2CC(=O)O)c1CCC
InChIInChI=1S/C20H24O3/c1-3-8-15-11-7-13-19(17(15)9-4-2)23-18-12-6-5-10-16(18)14-20(21)22/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,21,22)
InChIKeyTXHIJPZXAAKPLI-UHFFFAOYSA-N
MW312.41 g/mol
LogP5.01
Rot. Bonds8

About 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid

2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid (PubChem CID 21113142) has the molecular formula C20H24O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
PubChem CID21113142
Molecular FormulaC20H24O3
Molecular Weight312.41 g/mol
Exact Mass312.17
IUPAC Name2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid
SMILESCCCc1cccc(Oc2ccccc2CC(=O)O)c1CCC
InChIInChI=1S/C20H24O3/c1-3-8-15-11-7-13-19(17(15)9-4-2)23-18-12-6-5-10-16(18)14-20(21)22/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,21,22)
InChIKeyTXHIJPZXAAKPLI-UHFFFAOYSA-N
XLogP5.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.41
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[2-(carboxymethyl)phenoxy]phenyl]acetic acid
CID 14801619
2-(2-propylphenyl)acetic acid
CID 46897017
1-phenylperoxy-2,3-dipropylbenzene
CID 56612441
2-[(2,3-dipropylphenoxy)methyl]phenol
CID 67181390
2-[2-(2-aminophenoxy)phenyl]acetic acid
CID 13409453
2-decyl-1-phenoxy-3-propylbenzene
CID 141351783
(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid
CID 87674082
(2,3-dipropylphenyl)-phenylmethanone
CID 23045952
bis(2-propylphenyl) carbonate
CID 66781525
1-(2,3-dipentylphenoxy)-2,3-dipentylbenzene
CID 70140001
1,2-dimethyl-3-(2-propylphenoxy)benzene
CID 173291845
2-[2-(2-chloro-4-ethylphenoxy)phenyl]acetic acid
CID 15581880

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid (CID 21113142) is 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid is CCCc1cccc(Oc2ccccc2CC(=O)O)c1CCC.
What is the InChIKey of 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid?
The InChIKey is TXHIJPZXAAKPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O3/c1-3-8-15-11-7-13-19(17(15)9-4-2)23-18-12-6-5-10-16(18)14-20(21)22/h5-7,10-13H,3-4,8-9,14H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid?
2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid has a molecular weight of 312.41 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dipropylphenoxy)phenyl]acetic acid is sourced from PubChem (CID 21113142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).