3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol

C20H23NO — CID 22475249

IUPAC3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol
SMILESCC12CNCCC1(c1cccc(O)c1)Cc1ccccc1C2
InChIInChI=1S/C20H23NO/c1-19-12-15-5-2-3-6-16(15)13-20(19,9-10-21-14-19)17-7-4-8-18(22)11-17/h2-8,11,21-22H,9-10,12-14H2,1H3
InChIKeyPKCBXVCRCOSVSD-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.43
Rot. Bonds1

About 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol

3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol (PubChem CID 22475249) has the molecular formula C20H23NO and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol.

Molecular Properties

Compound Name3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol
PubChem CID22475249
Molecular FormulaC20H23NO
Molecular Weight293.41 g/mol
Exact Mass293.18
IUPAC Name3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol
SMILESCC12CNCCC1(c1cccc(O)c1)Cc1ccccc1C2
InChIInChI=1S/C20H23NO/c1-19-12-15-5-2-3-6-16(15)13-20(19,9-10-21-14-19)17-7-4-8-18(22)11-17/h2-8,11,21-22H,9-10,12-14H2,1H3
InChIKeyPKCBXVCRCOSVSD-UHFFFAOYSA-N
XLogP3.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol?
The IUPAC name of 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol (CID 22475249) is 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol.
What is the SMILES notation for 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol?
The canonical SMILES for 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol is CC12CNCCC1(c1cccc(O)c1)Cc1ccccc1C2.
What is the InChIKey of 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol?
The InChIKey is PKCBXVCRCOSVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO/c1-19-12-15-5-2-3-6-16(15)13-20(19,9-10-21-14-19)17-7-4-8-18(22)11-17/h2-8,11,21-22H,9-10,12-14H2,1H3.
What are the key properties of 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol?
3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol has a molecular weight of 293.41 g/mol, XLogP of 3.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10a-methyl-1,2,3,4,5,10-hexahydrobenzo[g]isoquinolin-4a-yl)phenol is sourced from PubChem (CID 22475249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).