6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol

C16H17NO2 — CID 22038174

IUPAC6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1ccc2c(c1)CCCC2(O)c1ccncc1
InChIInChI=1S/C16H17NO2/c1-19-14-4-5-15-12(11-14)3-2-8-16(15,18)13-6-9-17-10-7-13/h4-7,9-11,18H,2-3,8H2,1H3
InChIKeyCQZUIOWYPMTYOT-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.66
Rot. Bonds2

About 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol

6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol (PubChem CID 22038174) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol.

Molecular Properties

Compound Name6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
PubChem CID22038174
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC Name6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol
SMILESCOc1ccc2c(c1)CCCC2(O)c1ccncc1
InChIInChI=1S/C16H17NO2/c1-19-14-4-5-15-12(11-14)3-2-8-16(15,18)13-6-9-17-10-7-13/h4-7,9-11,18H,2-3,8H2,1H3
InChIKeyCQZUIOWYPMTYOT-UHFFFAOYSA-N
XLogP2.66
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The IUPAC name of 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol (CID 22038174) is 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol.
What is the SMILES notation for 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The canonical SMILES for 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol is COc1ccc2c(c1)CCCC2(O)c1ccncc1.
What is the InChIKey of 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
The InChIKey is CQZUIOWYPMTYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-19-14-4-5-15-12(11-14)3-2-8-16(15,18)13-6-9-17-10-7-13/h4-7,9-11,18H,2-3,8H2,1H3.
What are the key properties of 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol?
6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol has a molecular weight of 255.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-pyridin-4-yl-3,4-dihydro-2H-naphthalen-1-ol is sourced from PubChem (CID 22038174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).