9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one

C14H14O2 — CID 159988514

IUPAC9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one
SMILESCc1cc(O)c2c(c1)CC(=O)C1=C2CCC1
InChIInChI=1S/C14H14O2/c1-8-5-9-7-12(15)10-3-2-4-11(10)14(9)13(16)6-8/h5-6,16H,2-4,7H2,1H3
InChIKeyOGQIHDJOTPOZAG-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.76
Rot. Bonds

About 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one

9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one (PubChem CID 159988514) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one.

Molecular Properties

Compound Name9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one
PubChem CID159988514
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one
SMILESCc1cc(O)c2c(c1)CC(=O)C1=C2CCC1
InChIInChI=1S/C14H14O2/c1-8-5-9-7-12(15)10-3-2-4-11(10)14(9)13(16)6-8/h5-6,16H,2-4,7H2,1H3
InChIKeyOGQIHDJOTPOZAG-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 10631089
8-methyl-2,3,4,5-tetrahydro-1H-3-benzazepin-6-ol
CID 83874748
ethane;3-hydroxy-2-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 144636077
6-(4-hydroxy-3-methylphenyl)-3,7-dimethyl-8-methylidene-5H-naphthalen-1-ol
CID 143003340
3-methyl-5-(2-methylprop-2-enoxy)bicyclo[4.2.0]octa-1(6),2,4-trien-7-one
CID 102312254
5-hydroxy-7-methyl-3,4-dihydro-1H-quinolin-2-one
CID 155040320
(10R)-10-(1,8-dihydroxy-6-methyl-9-oxo-10H-anthracen-2-yl)-1,8,10-trihydroxy-3-methylanthracen-9-one
CID 163004894
1,8-dihydroxy-3-methoxy-6-methyl-2-(3-methylbut-1-enyl)-10H-anthracen-9-one
CID 155490509
7-bromo-5-methyl-2,3-dihydroinden-1-one
CID 71021865
(4S,6Z,9S,10S)-9,10,18-trihydroxy-4,16-dimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
CID 58373428
(4S,5R,6Z,10S)-9,10,18-trihydroxy-4,5,16-trimethyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,8-dione
CID 126636664
1,8-dihydroxy-3-[(E)-7-methoxy-3,7-dimethyloct-2-enoxy]-6-methyl-10H-anthracen-9-one
CID 44575185

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one?
The IUPAC name of 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one (CID 159988514) is 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one.
What is the SMILES notation for 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one?
The canonical SMILES for 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one is Cc1cc(O)c2c(c1)CC(=O)C1=C2CCC1.
What is the InChIKey of 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one?
The InChIKey is OGQIHDJOTPOZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-8-5-9-7-12(15)10-3-2-4-11(10)14(9)13(16)6-8/h5-6,16H,2-4,7H2,1H3.
What are the key properties of 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one?
9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one has a molecular weight of 214.26 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-7-methyl-1,2,3,5-tetrahydrocyclopenta[a]naphthalen-4-one is sourced from PubChem (CID 159988514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).