7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol

C17H19NO2 — CID 115510965

IUPAC7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(c1ccc(C)nc1)CC2
InChIInChI=1S/C17H19NO2/c1-12-3-5-15(11-18-12)17(19)8-7-13-4-6-16(20-2)9-14(13)10-17/h3-6,9,11,19H,7-8,10H2,1-2H3
InChIKeyRVKCPESACKZRBJ-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.78
Rot. Bonds2

About 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol

7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol (PubChem CID 115510965) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol.

Molecular Properties

Compound Name7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol
PubChem CID115510965
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol
SMILESCOc1ccc2c(c1)CC(O)(c1ccc(C)nc1)CC2
InChIInChI=1S/C17H19NO2/c1-12-3-5-15(11-18-12)17(19)8-7-13-4-6-16(20-2)9-14(13)10-17/h3-6,9,11,19H,7-8,10H2,1-2H3
InChIKeyRVKCPESACKZRBJ-UHFFFAOYSA-N
XLogP2.78
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol?
The IUPAC name of 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol (CID 115510965) is 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol.
What is the SMILES notation for 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol?
The canonical SMILES for 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol is COc1ccc2c(c1)CC(O)(c1ccc(C)nc1)CC2.
What is the InChIKey of 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol?
The InChIKey is RVKCPESACKZRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-3-5-15(11-18-12)17(19)8-7-13-4-6-16(20-2)9-14(13)10-17/h3-6,9,11,19H,7-8,10H2,1-2H3.
What are the key properties of 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol?
7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol has a molecular weight of 269.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(6-methyl-3-pyridinyl)-3,4-dihydro-1H-naphthalen-2-ol is sourced from PubChem (CID 115510965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).