2-[2-(3-phenylpropyl)phenyl]acetic acid

C17H18O2 — CID 23284627

IUPAC2-[2-(3-phenylpropyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CCCc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19)13-16-11-5-4-10-15(16)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,18,19)
InChIKeyQTNUGTRXJKSOPQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.49
Rot. Bonds6

About 2-[2-(3-phenylpropyl)phenyl]acetic acid

2-[2-(3-phenylpropyl)phenyl]acetic acid (PubChem CID 23284627) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-[2-(3-phenylpropyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(3-phenylpropyl)phenyl]acetic acid
PubChem CID23284627
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2-[2-(3-phenylpropyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1CCCc1ccccc1
InChIInChI=1S/C17H18O2/c18-17(19)13-16-11-5-4-10-15(16)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,18,19)
InChIKeyQTNUGTRXJKSOPQ-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 172781001
CID 172781001
CID 172781038
CID 172781038
2-(2-propylphenyl)acetic acid
CID 46897017
(carboxyamino)carbamic acid;3-phenylpropylbenzene;hydroiodide
CID 162266552
CID 159131095
CID 159131095
1,4-bis(3-phenylpropyl)benzene
CID 59467322
2-[2-[(2-phenylethylamino)methyl]phenyl]acetic acid
CID 115461449
2-(12-phenyldodecyl)phenol
CID 70505621
2-(3-phenylpropyl)phenolate
CID 123450771
15-phenylpentadecanoic acid
CID 2737151
copper 2-phenylacetic acid
CID 54609410
2-phenylacetic acid;silver
CID 50912513

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-phenylpropyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(3-phenylpropyl)phenyl]acetic acid (CID 23284627) is 2-[2-(3-phenylpropyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(3-phenylpropyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(3-phenylpropyl)phenyl]acetic acid is O=C(O)Cc1ccccc1CCCc1ccccc1.
What is the InChIKey of 2-[2-(3-phenylpropyl)phenyl]acetic acid?
The InChIKey is QTNUGTRXJKSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-17(19)13-16-11-5-4-10-15(16)12-6-9-14-7-2-1-3-8-14/h1-5,7-8,10-11H,6,9,12-13H2,(H,18,19).
What are the key properties of 2-[2-(3-phenylpropyl)phenyl]acetic acid?
2-[2-(3-phenylpropyl)phenyl]acetic acid has a molecular weight of 254.33 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-phenylpropyl)phenyl]acetic acid is sourced from PubChem (CID 23284627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).