2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid

C15H12O3 — CID 88780852

IUPAC2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid
SMILESO=C(O)C1C=CC2=CCC3=CC=CC=CC3=C2O1
InChIInChI=1S/C15H12O3/c16-15(17)13-9-8-11-7-6-10-4-2-1-3-5-12(10)14(11)18-13/h1-5,7-9,13H,6H2,(H,16,17)
InChIKeyLNAMREPNNZUSKR-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.66
Rot. Bonds1

About 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid

2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid (PubChem CID 88780852) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid.

Molecular Properties

Compound Name2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid
PubChem CID88780852
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid
SMILESO=C(O)C1C=CC2=CCC3=CC=CC=CC3=C2O1
InChIInChI=1S/C15H12O3/c16-15(17)13-9-8-11-7-6-10-4-2-1-3-5-12(10)14(11)18-13/h1-5,7-9,13H,6H2,(H,16,17)
InChIKeyLNAMREPNNZUSKR-UHFFFAOYSA-N
XLogP2.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2-hydroxy-3-oxalooxycyclohexa-1,5-diene-1-carboxylic acid
CID 154496778
Indeno[5,4-b]furan-2-carboxylic
CID 88838512
(5Z)-6-methylidene-5-(6-methylidenecyclohexa-2,4-dien-1-ylidene)-3-(trifluoromethyl)-2H-pyran-2-carboxylic acid
CID 142848551
2-fluoro-4aH-benzo[c]chromene-6-carboxylic acid
CID 153747983
8-fluoro-4aH-benzo[c]chromene-6-carboxylic acid
CID 153747987
7-Carbonyl-methoxy coumarin
CID 129718741
(3S)-3-(1-carboxyethenoxy)cyclohepta-1,6-diene-1-carboxylic acid
CID 44123452
2-Cyclohexa-1,5-dien-1-yloxypropanoic acid
CID 19091998
2,5-Dihydropyrano[2,3-b]pyran-2-carboxylic acid
CID 19873310
2,5-Dihydropyrano[3,2-g]chromene-2-carboxylic acid
CID 20199268
2-Cyclohexa-2,4-dien-1-yloxypropanoic acid
CID 54210924
2,3,4,6-Tetrahydrochromen-6-ide-2-carboxylic acid;yttrium
CID 59118127

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid?
The IUPAC name of 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid (CID 88780852) is 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid.
What is the SMILES notation for 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid?
The canonical SMILES for 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid is O=C(O)C1C=CC2=CCC3=CC=CC=CC3=C2O1.
What is the InChIKey of 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid?
The InChIKey is LNAMREPNNZUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-15(17)13-9-8-11-7-6-10-4-2-1-3-5-12(10)14(11)18-13/h1-5,7-9,13H,6H2,(H,16,17).
What are the key properties of 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid?
2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid has a molecular weight of 240.26 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydrocyclohepta[h]chromene-2-carboxylic acid is sourced from PubChem (CID 88780852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).