1,2-dihydrocyclopenta[b]chromene

C12H10O — CID 86188664

IUPAC1,2-dihydrocyclopenta[b]chromene
SMILESC1=C2CCC=C2Oc2ccccc21
InChIInChI=1S/C12H10O/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-2,4,6-8H,3,5H2
InChIKeyHBLJCWJDBFTLJU-UHFFFAOYSA-N
MW170.21 g/mol
LogP3.14
Rot. Bonds

About 1,2-dihydrocyclopenta[b]chromene

1,2-dihydrocyclopenta[b]chromene (PubChem CID 86188664) has the molecular formula C12H10O and a molecular weight of 170.21 g/mol. Its IUPAC name is 1,2-dihydrocyclopenta[b]chromene.

Molecular Properties

Compound Name1,2-dihydrocyclopenta[b]chromene
PubChem CID86188664
Molecular FormulaC12H10O
Molecular Weight170.21 g/mol
Exact Mass170.07
IUPAC Name1,2-dihydrocyclopenta[b]chromene
SMILESC1=C2CCC=C2Oc2ccccc21
InChIInChI=1S/C12H10O/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-2,4,6-8H,3,5H2
InChIKeyHBLJCWJDBFTLJU-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrocyclopenta[b]chromene?
The IUPAC name of 1,2-dihydrocyclopenta[b]chromene (CID 86188664) is 1,2-dihydrocyclopenta[b]chromene.
What is the SMILES notation for 1,2-dihydrocyclopenta[b]chromene?
The canonical SMILES for 1,2-dihydrocyclopenta[b]chromene is C1=C2CCC=C2Oc2ccccc21.
What is the InChIKey of 1,2-dihydrocyclopenta[b]chromene?
The InChIKey is HBLJCWJDBFTLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)13-11/h1-2,4,6-8H,3,5H2.
What are the key properties of 1,2-dihydrocyclopenta[b]chromene?
1,2-dihydrocyclopenta[b]chromene has a molecular weight of 170.21 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrocyclopenta[b]chromene is sourced from PubChem (CID 86188664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).