7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one

C14H12O2 — CID 86072299

IUPAC7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
SMILESCC1Cc2ccc3cc(O)ccc3c2C1=O
InChIInChI=1S/C14H12O2/c1-8-6-10-3-2-9-7-11(15)4-5-12(9)13(10)14(8)16/h2-5,7-8,15H,6H2,1H3
InChIKeyKLAXRNWLVGASRM-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.92
Rot. Bonds

About 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one

7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one (PubChem CID 86072299) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one.

Molecular Properties

Compound Name7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
PubChem CID86072299
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
SMILESCC1Cc2ccc3cc(O)ccc3c2C1=O
InChIInChI=1S/C14H12O2/c1-8-6-10-3-2-9-7-11(15)4-5-12(9)13(10)14(8)16/h2-5,7-8,15H,6H2,1H3
InChIKeyKLAXRNWLVGASRM-UHFFFAOYSA-N
XLogP2.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The IUPAC name of 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one (CID 86072299) is 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one.
What is the SMILES notation for 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The canonical SMILES for 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one is CC1Cc2ccc3cc(O)ccc3c2C1=O.
What is the InChIKey of 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one?
The InChIKey is KLAXRNWLVGASRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2/c1-8-6-10-3-2-9-7-11(15)4-5-12(9)13(10)14(8)16/h2-5,7-8,15H,6H2,1H3.
What are the key properties of 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one?
7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one has a molecular weight of 212.25 g/mol, XLogP of 2.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one is sourced from PubChem (CID 86072299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).