8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one

C15H18O2 — CID 15194292

IUPAC8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one
SMILESCC1=CC(=O)C2(O)C(C)=CC=C(C(C)C)C=C12
InChIInChI=1S/C15H18O2/c1-9(2)12-6-5-11(4)15(17)13(8-12)10(3)7-14(15)16/h5-9,17H,1-4H3
InChIKeyJXXLWBDZUOOVLV-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.72
Rot. Bonds1

About 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one

8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one (PubChem CID 15194292) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one.

Molecular Properties

Compound Name8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one
PubChem CID15194292
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one
SMILESCC1=CC(=O)C2(O)C(C)=CC=C(C(C)C)C=C12
InChIInChI=1S/C15H18O2/c1-9(2)12-6-5-11(4)15(17)13(8-12)10(3)7-14(15)16/h5-9,17H,1-4H3
InChIKeyJXXLWBDZUOOVLV-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-2,3-dihydroazulene-1,6-dione
CID 122178942
(3S)-3-hydroxy-3,8-dimethyl-5-propan-2-yl-1,2-dihydroazulen-6-one
CID 145954708
(1S)-1-hydroxy-1,4-dimethyl-7-propan-2-yl-2,3-dihydroazulen-5-one
CID 164611810
6-Hydroxy-2,5,6-trimethylcyclohexa-2,4-dien-1-one
CID 12264347
3,5-Ditert-butyl-6-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one
CID 134924990
Dehydro-cohumulinic acid
CID 616449
5-Hydroxy-2,3,5-trimethyl-4-methylidenecyclopent-2-en-1-one
CID 21785002
(1S,3R)-3,6-dihydroxy-3-methyl-1-(2-methylprop-1-enyl)-1,2-dihydroazulen-5-one
CID 101821346
3,6-Dihydroxy-3-methyl-1-(2-methylprop-1-enyl)-1,2-dihydroazulen-5-one
CID 12302852
6-Hydroxy-6-propylcyclohexa-2,4-dien-1-one
CID 57219040
6-Chloro-4-ethylidene-3-hydroxy-3-propylhept-5-en-2-one
CID 91084359
6-Hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one
CID 140987931

Frequently Asked Questions

What is the IUPAC name of 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one?
The IUPAC name of 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one (CID 15194292) is 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one.
What is the SMILES notation for 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one?
The canonical SMILES for 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one is CC1=CC(=O)C2(O)C(C)=CC=C(C(C)C)C=C12.
What is the InChIKey of 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one?
The InChIKey is JXXLWBDZUOOVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-9(2)12-6-5-11(4)15(17)13(8-12)10(3)7-14(15)16/h5-9,17H,1-4H3.
What are the key properties of 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one?
8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one has a molecular weight of 230.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-hydroxy-3,8-dimethyl-5-propan-2-ylazulen-1-one is sourced from PubChem (CID 15194292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).