6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one

C19H20O2 — CID 88652784

IUPAC6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one
SMILESCOC1C=Cc2cccc3c2=C1CC1C=3CC(=O)CC1C
InChIInChI=1S/C19H20O2/c1-11-8-13(20)9-16-14-5-3-4-12-6-7-18(21-2)17(19(12)14)10-15(11)16/h3-7,11,15,18H,8-10H2,1-2H3
InChIKeyJNVNIAWESDDVDO-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.05
Rot. Bonds1

About 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one

6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one (PubChem CID 88652784) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one.

Molecular Properties

Compound Name6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one
PubChem CID88652784
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one
SMILESCOC1C=Cc2cccc3c2=C1CC1C=3CC(=O)CC1C
InChIInChI=1S/C19H20O2/c1-11-8-13(20)9-16-14-5-3-4-12-6-7-18(21-2)17(19(12)14)10-15(11)16/h3-7,11,15,18H,8-10H2,1-2H3
InChIKeyJNVNIAWESDDVDO-UHFFFAOYSA-N
XLogP2.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one?
The IUPAC name of 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one (CID 88652784) is 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one.
What is the SMILES notation for 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one?
The canonical SMILES for 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one is COC1C=Cc2cccc3c2=C1CC1C=3CC(=O)CC1C.
What is the InChIKey of 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one?
The InChIKey is JNVNIAWESDDVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-11-8-13(20)9-16-14-5-3-4-12-6-7-18(21-2)17(19(12)14)10-15(11)16/h3-7,11,15,18H,8-10H2,1-2H3.
What are the key properties of 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one?
6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one has a molecular weight of 280.37 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-8-methyl-6,7,7a,8,9,11-hexahydrobenzo[a]phenalen-10-one is sourced from PubChem (CID 88652784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).