2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol

C14H25NO — CID 162397522

IUPAC2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol
SMILESCN1CCC2CC3CCC(O)CC3CC2C1
InChIInChI=1S/C14H25NO/c1-15-5-4-11-6-10-2-3-14(16)8-12(10)7-13(11)9-15/h10-14,16H,2-9H2,1H3
InChIKeyZVZHXLKYXBAQQY-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.13
Rot. Bonds

About 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol

2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol (PubChem CID 162397522) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol.

Molecular Properties

Compound Name2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol
PubChem CID162397522
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol
SMILESCN1CCC2CC3CCC(O)CC3CC2C1
InChIInChI=1S/C14H25NO/c1-15-5-4-11-6-10-2-3-14(16)8-12(10)7-13(11)9-15/h10-14,16H,2-9H2,1H3
InChIKeyZVZHXLKYXBAQQY-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol?
The IUPAC name of 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol (CID 162397522) is 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol.
What is the SMILES notation for 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol?
The canonical SMILES for 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol is CN1CCC2CC3CCC(O)CC3CC2C1.
What is the InChIKey of 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol?
The InChIKey is ZVZHXLKYXBAQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-15-5-4-11-6-10-2-3-14(16)8-12(10)7-13(11)9-15/h10-14,16H,2-9H2,1H3.
What are the key properties of 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol?
2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol has a molecular weight of 223.36 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,4,4a,5,5a,6,7,8,9,9a,10,10a-dodecahydro-1H-benzo[g]isoquinolin-8-ol is sourced from PubChem (CID 162397522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).