5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol

C16H21NO3 — CID 10446087

IUPAC5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
SMILESCC(C)NCC(O)COc1cccc2c(O)cccc12
InChIInChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-4-5-13-14(16)6-3-7-15(13)19/h3-8,11-12,17-19H,9-10H2,1-2H3
InChIKeyWMYPGILKDMWISO-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.28
Rot. Bonds6

About 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol

5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol (PubChem CID 10446087) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol.

Molecular Properties

Compound Name5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
PubChem CID10446087
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol
SMILESCC(C)NCC(O)COc1cccc2c(O)cccc12
InChIInChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-4-5-13-14(16)6-3-7-15(13)19/h3-8,11-12,17-19H,9-10H2,1-2H3
InChIKeyWMYPGILKDMWISO-UHFFFAOYSA-N
XLogP2.28
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol?
The IUPAC name of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol (CID 10446087) is 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol.
What is the SMILES notation for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol?
The canonical SMILES for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol is CC(C)NCC(O)COc1cccc2c(O)cccc12.
What is the InChIKey of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol?
The InChIKey is WMYPGILKDMWISO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11(2)17-9-12(18)10-20-16-8-4-5-13-14(16)6-3-7-15(13)19/h3-8,11-12,17-19H,9-10H2,1-2H3.
What are the key properties of 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol?
5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol has a molecular weight of 275.35 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(propan-2-ylamino)propoxy]naphthalen-1-ol is sourced from PubChem (CID 10446087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).