2-cyclopenta-1,4-dien-1-yloxyacetic acid

C7H8O3 — CID 137195901

IUPAC2-cyclopenta-1,4-dien-1-yloxyacetic acid
SMILESO=C(O)COC1=CCC=C1
InChIInChI=1S/C7H8O3/c8-7(9)5-10-6-3-1-2-4-6/h1,3-4H,2,5H2,(H,8,9)
InChIKeySROKIFAFGAYRPR-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.93
Rot. Bonds3

About 2-cyclopenta-1,4-dien-1-yloxyacetic acid

2-cyclopenta-1,4-dien-1-yloxyacetic acid (PubChem CID 137195901) has the molecular formula C7H8O3 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2-cyclopenta-1,4-dien-1-yloxyacetic acid.

Molecular Properties

Compound Name2-cyclopenta-1,4-dien-1-yloxyacetic acid
PubChem CID137195901
Molecular FormulaC7H8O3
Molecular Weight140.14 g/mol
Exact Mass140.05
IUPAC Name2-cyclopenta-1,4-dien-1-yloxyacetic acid
SMILESO=C(O)COC1=CCC=C1
InChIInChI=1S/C7H8O3/c8-7(9)5-10-6-3-1-2-4-6/h1,3-4H,2,5H2,(H,8,9)
InChIKeySROKIFAFGAYRPR-UHFFFAOYSA-N
XLogP0.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
2-phenoxyacetic acid;piperazine
CID 54610102
2-[[38,39,40,41,42-pentakis(carboxymethoxy)-37-heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21,23,25(39),27,29,31(38),33,35-octadecaenyl]oxy]acetic acid
CID 100979111
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
2-phenoxyacetic acid;titanium
CID 174896747
2-[2,5-bis(carboxymethoxy)-4-(carboxymethyl)phenyl]acetic acid
CID 90901057
2-methoxycyclohexa-1,3-diene;propanoic acid
CID 174731082
2-[4-(2-bromo-3-butoxy-3-oxopropylidene)cyclohexa-1,5-dien-1-yl]oxyacetic acid
CID 142667360
2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-[3-(2-hydroxyethyl)phenoxy]acetic acid
CID 19830841
chloromethane;2-phenoxyacetic acid
CID 157255542

Frequently Asked Questions

What is the IUPAC name of 2-cyclopenta-1,4-dien-1-yloxyacetic acid?
The IUPAC name of 2-cyclopenta-1,4-dien-1-yloxyacetic acid (CID 137195901) is 2-cyclopenta-1,4-dien-1-yloxyacetic acid.
What is the SMILES notation for 2-cyclopenta-1,4-dien-1-yloxyacetic acid?
The canonical SMILES for 2-cyclopenta-1,4-dien-1-yloxyacetic acid is O=C(O)COC1=CCC=C1.
What is the InChIKey of 2-cyclopenta-1,4-dien-1-yloxyacetic acid?
The InChIKey is SROKIFAFGAYRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3/c8-7(9)5-10-6-3-1-2-4-6/h1,3-4H,2,5H2,(H,8,9).
What are the key properties of 2-cyclopenta-1,4-dien-1-yloxyacetic acid?
2-cyclopenta-1,4-dien-1-yloxyacetic acid has a molecular weight of 140.14 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopenta-1,4-dien-1-yloxyacetic acid is sourced from PubChem (CID 137195901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).