6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol

C18H20N2O3 — CID 22018386

IUPAC6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol
SMILESCOc1cc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2cc1O
InChIInChI=1S/C18H20N2O3/c1-11(2)18(22,17-9-19-10-20-17)14-5-4-12-7-15(21)16(23-3)8-13(12)6-14/h4-11,21-22H,1-3H3,(H,19,20)
InChIKeyWQWGWMPVLWVHAS-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.17
Rot. Bonds4

About 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol

6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol (PubChem CID 22018386) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol.

Molecular Properties

Compound Name6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol
PubChem CID22018386
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol
SMILESCOc1cc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2cc1O
InChIInChI=1S/C18H20N2O3/c1-11(2)18(22,17-9-19-10-20-17)14-5-4-12-7-15(21)16(23-3)8-13(12)6-14/h4-11,21-22H,1-3H3,(H,19,20)
InChIKeyWQWGWMPVLWVHAS-UHFFFAOYSA-N
XLogP3.17
TPSA78.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol?
The IUPAC name of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol (CID 22018386) is 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol.
What is the SMILES notation for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol?
The canonical SMILES for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol is COc1cc2cc(C(O)(c3cnc[nH]3)C(C)C)ccc2cc1O.
What is the InChIKey of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol?
The InChIKey is WQWGWMPVLWVHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-11(2)18(22,17-9-19-10-20-17)14-5-4-12-7-15(21)16(23-3)8-13(12)6-14/h4-11,21-22H,1-3H3,(H,19,20).
What are the key properties of 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol?
6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol has a molecular weight of 312.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-hydroxy-1-(1H-imidazol-5-yl)-2-methylpropyl]-3-methoxynaphthalen-2-ol is sourced from PubChem (CID 22018386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).