1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol

C16H23NO — CID 21436194

IUPAC1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
SMILESCN1CCCC2C1Cc1ccc(O)cc1C2(C)C
InChIInChI=1S/C16H23NO/c1-16(2)13-5-4-8-17(3)15(13)9-11-6-7-12(18)10-14(11)16/h6-7,10,13,15,18H,4-5,8-9H2,1-3H3
InChIKeyXZLGSTGEGFDDAB-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.94
Rot. Bonds

About 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol

1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol (PubChem CID 21436194) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol.

Molecular Properties

Compound Name1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
PubChem CID21436194
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol
SMILESCN1CCCC2C1Cc1ccc(O)cc1C2(C)C
InChIInChI=1S/C16H23NO/c1-16(2)13-5-4-8-17(3)15(13)9-11-6-7-12(18)10-14(11)16/h6-7,10,13,15,18H,4-5,8-9H2,1-3H3
InChIKeyXZLGSTGEGFDDAB-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The IUPAC name of 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol (CID 21436194) is 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol.
What is the SMILES notation for 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The canonical SMILES for 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol is CN1CCCC2C1Cc1ccc(O)cc1C2(C)C.
What is the InChIKey of 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
The InChIKey is XZLGSTGEGFDDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-16(2)13-5-4-8-17(3)15(13)9-11-6-7-12(18)10-14(11)16/h6-7,10,13,15,18H,4-5,8-9H2,1-3H3.
What are the key properties of 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol?
1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol has a molecular weight of 245.37 g/mol, XLogP of 2.94, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5-trimethyl-2,3,4,4a,10,10a-hexahydrobenzo[g]quinolin-7-ol is sourced from PubChem (CID 21436194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).