3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid

C17H14O3 — CID 19856965

IUPAC3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid
SMILESO=C(O)c1cccc(C2=CC=CC2)c1OC1=CC=CC1
InChIInChI=1S/C17H14O3/c18-17(19)15-11-5-10-14(12-6-1-2-7-12)16(15)20-13-8-3-4-9-13/h1-6,8,10-11H,7,9H2,(H,18,19)
InChIKeyTYKIQBSWZHMTBM-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.95
Rot. Bonds4

About 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid

3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid (PubChem CID 19856965) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid.

Molecular Properties

Compound Name3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid
PubChem CID19856965
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Name3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid
SMILESO=C(O)c1cccc(C2=CC=CC2)c1OC1=CC=CC1
InChIInChI=1S/C17H14O3/c18-17(19)15-11-5-10-14(12-6-1-2-7-12)16(15)20-13-8-3-4-9-13/h1-6,8,10-11H,7,9H2,(H,18,19)
InChIKeyTYKIQBSWZHMTBM-UHFFFAOYSA-N
XLogP3.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopenta-1,3-dien-1-ylbenzamide
CID 22676479
4-cyclopenta-1,3-dien-1-yl-2-methylbenzene-1,3-dicarboxylic acid
CID 174392728
2-(cyclopenta-1,3-diene-1-carbonyl)benzoic acid
CID 517151
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
CID 87085306
CID 87085306
(3-cyclohexa-1,3-dien-1-yl-2-methoxyphenyl)boronic acid;ethane
CID 144815761
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
2-methoxy-1-benzofuran-4-carboxylic acid
CID 140994741
3-(4-hydroxyphenyl)-2-methoxybenzoic acid
CID 53224993
benzene;1-cyclopenta-1,3-dien-1-ylcyclopenta-1,3-diene;phenol
CID 174855850
cyclobutanone;2-methylbenzene-1,3-dicarboxylic acid
CID 174422284

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid?
The IUPAC name of 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid (CID 19856965) is 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid.
What is the SMILES notation for 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid?
The canonical SMILES for 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid is O=C(O)c1cccc(C2=CC=CC2)c1OC1=CC=CC1.
What is the InChIKey of 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid?
The InChIKey is TYKIQBSWZHMTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-17(19)15-11-5-10-14(12-6-1-2-7-12)16(15)20-13-8-3-4-9-13/h1-6,8,10-11H,7,9H2,(H,18,19).
What are the key properties of 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid?
3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid has a molecular weight of 266.30 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,3-dien-1-yl-2-cyclopenta-1,3-dien-1-yloxybenzoic acid is sourced from PubChem (CID 19856965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).