2-(4-prop-1-enylphenyl)acetic acid

C11H12O2 — CID 70128310

IUPAC2-(4-prop-1-enylphenyl)acetic acid
SMILESCC=Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12O2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h2-7H,8H2,1H3,(H,12,13)
InChIKeyDDHLCDIPADWAPJ-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.35
Rot. Bonds3

About 2-(4-prop-1-enylphenyl)acetic acid

2-(4-prop-1-enylphenyl)acetic acid (PubChem CID 70128310) has the molecular formula C11H12O2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(4-prop-1-enylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-prop-1-enylphenyl)acetic acid
PubChem CID70128310
Molecular FormulaC11H12O2
Molecular Weight176.21 g/mol
Exact Mass176.08
IUPAC Name2-(4-prop-1-enylphenyl)acetic acid
SMILESCC=Cc1ccc(CC(=O)O)cc1
InChIInChI=1S/C11H12O2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h2-7H,8H2,1H3,(H,12,13)
InChIKeyDDHLCDIPADWAPJ-UHFFFAOYSA-N
XLogP2.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[(E)-2-[3,5-bis[(E)-2-[4-(carboxymethyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]acetic acid;ethane
CID 145426208
2-[4-[(1E)-buta-1,3-dienyl]phenyl]acetic acid
CID 143366229
(4-prop-1-enylphenyl)methanol
CID 67711719
4-[(Z)-prop-1-enyl]benzoic acid
CID 70130780
2-[4-(6-aminohex-1-enyl)phenyl]acetic acid
CID 54019065
1-(iodomethyl)-4-prop-1-enylbenzene
CID 76734170
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601
lithium;carbanide;2-(4-methylphenyl)acetic acid
CID 161212911
2-[4-[2-(2-phenylethylsulfonylamino)ethenyl]phenyl]acetic acid
CID 56623762
2-[3-(carboxymethyl)-5-[2-(4-hydroxyphenyl)ethenyl]phenyl]acetic acid
CID 67436892
2-[4-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 12818880
(3S)-3-(methylamino)-4-[4-[(E)-prop-1-enyl]phenyl]butan-2-one
CID 58904378

Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-1-enylphenyl)acetic acid?
The IUPAC name of 2-(4-prop-1-enylphenyl)acetic acid (CID 70128310) is 2-(4-prop-1-enylphenyl)acetic acid.
What is the SMILES notation for 2-(4-prop-1-enylphenyl)acetic acid?
The canonical SMILES for 2-(4-prop-1-enylphenyl)acetic acid is CC=Cc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-(4-prop-1-enylphenyl)acetic acid?
The InChIKey is DDHLCDIPADWAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-3-9-4-6-10(7-5-9)8-11(12)13/h2-7H,8H2,1H3,(H,12,13).
What are the key properties of 2-(4-prop-1-enylphenyl)acetic acid?
2-(4-prop-1-enylphenyl)acetic acid has a molecular weight of 176.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-enylphenyl)acetic acid is sourced from PubChem (CID 70128310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).