2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid

C14H16O3 — CID 170757611

IUPAC2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid
SMILESCOCc1cccc(C2=CCCC2)c1C(=O)O
InChIInChI=1S/C14H16O3/c1-17-9-11-7-4-8-12(13(11)14(15)16)10-5-2-3-6-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,15,16)
InChIKeyQUWCPYLUCLRETO-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.10
Rot. Bonds4

About 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid

2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid (PubChem CID 170757611) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid
PubChem CID170757611
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid
SMILESCOCc1cccc(C2=CCCC2)c1C(=O)O
InChIInChI=1S/C14H16O3/c1-17-9-11-7-4-8-12(13(11)14(15)16)10-5-2-3-6-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,15,16)
InChIKeyQUWCPYLUCLRETO-UHFFFAOYSA-N
XLogP3.10
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 3026
CID 3026
CID 6781
CID 6781
CID 61361
CID 61361
CID 8554
CID 8554
CID 6782
CID 6782
CID 8346
CID 8346
CID 33599
CID 33599
CID 2347
CID 2347
CID 8561
CID 8561
CID 8343
CID 8343
CID 8559
CID 8559
CID 8575
CID 8575

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid?
The IUPAC name of 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid (CID 170757611) is 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid.
What is the SMILES notation for 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid?
The canonical SMILES for 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid is COCc1cccc(C2=CCCC2)c1C(=O)O.
What is the InChIKey of 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid?
The InChIKey is QUWCPYLUCLRETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-17-9-11-7-4-8-12(13(11)14(15)16)10-5-2-3-6-10/h4-5,7-8H,2-3,6,9H2,1H3,(H,15,16).
What are the key properties of 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid?
2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid has a molecular weight of 232.28 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-6-(methoxymethyl)benzoic acid is sourced from PubChem (CID 170757611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).