1,7,8,9-tetrahydrocyclopenta[h]isochromene

C12H12O — CID 142535471

IUPAC1,7,8,9-tetrahydrocyclopenta[h]isochromene
SMILESC1=Cc2ccc3c(c2CO1)CCC3
InChIInChI=1S/C12H12O/c1-2-9-4-5-10-6-7-13-8-12(10)11(9)3-1/h4-7H,1-3,8H2
InChIKeyOSVCSFZABBSVRW-UHFFFAOYSA-N
MW172.23 g/mol
LogP2.68
Rot. Bonds

About 1,7,8,9-tetrahydrocyclopenta[h]isochromene

1,7,8,9-tetrahydrocyclopenta[h]isochromene (PubChem CID 142535471) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is 1,7,8,9-tetrahydrocyclopenta[h]isochromene.

Molecular Properties

Compound Name1,7,8,9-tetrahydrocyclopenta[h]isochromene
PubChem CID142535471
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name1,7,8,9-tetrahydrocyclopenta[h]isochromene
SMILESC1=Cc2ccc3c(c2CO1)CCC3
InChIInChI=1S/C12H12O/c1-2-9-4-5-10-6-7-13-8-12(10)11(9)3-1/h4-7H,1-3,8H2
InChIKeyOSVCSFZABBSVRW-UHFFFAOYSA-N
XLogP2.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,9-dihydro-2H-furo[3,2-h]isochromene;2,3-dihydrofuro[3,2-h]isoquinoline
CID 158058505
7-ethyl-1H-isochromene
CID 90840835
1-methyl-6,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene
CID 158194850
2-bromo-5,6,7,8-tetrahydronaphthalen-1-ol
CID 22252946
5-iodo-2,3-dihydro-1H-inden-4-ol
CID 23031206
2,6,7,8-tetrahydro-1H-as-indacen-3-one
CID 638795
5,6,7,8-tetrahydronaphthalene-1,2-dithiol
CID 154521771
ethane;2,3,6,7-tetrahydro-1H-cyclopenta[a]naphthalene
CID 143658716
8,9-dihydro-7H-cyclopenta[h]chromen-2-one
CID 141136737
3,6,7,8-tetrahydrocyclopenta[e]indazole
CID 59145851
7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxole-2-thione
CID 146570561
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-inden-4-ol
CID 166152937

Frequently Asked Questions

What is the IUPAC name of 1,7,8,9-tetrahydrocyclopenta[h]isochromene?
The IUPAC name of 1,7,8,9-tetrahydrocyclopenta[h]isochromene (CID 142535471) is 1,7,8,9-tetrahydrocyclopenta[h]isochromene.
What is the SMILES notation for 1,7,8,9-tetrahydrocyclopenta[h]isochromene?
The canonical SMILES for 1,7,8,9-tetrahydrocyclopenta[h]isochromene is C1=Cc2ccc3c(c2CO1)CCC3.
What is the InChIKey of 1,7,8,9-tetrahydrocyclopenta[h]isochromene?
The InChIKey is OSVCSFZABBSVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O/c1-2-9-4-5-10-6-7-13-8-12(10)11(9)3-1/h4-7H,1-3,8H2.
What are the key properties of 1,7,8,9-tetrahydrocyclopenta[h]isochromene?
1,7,8,9-tetrahydrocyclopenta[h]isochromene has a molecular weight of 172.23 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7,8,9-tetrahydrocyclopenta[h]isochromene is sourced from PubChem (CID 142535471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).