1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol

C17H22O2 — CID 65146073

IUPAC1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
SMILESCOc1ccc2ccccc2c1C(O)CCC(C)C
InChIInChI=1S/C17H22O2/c1-12(2)8-10-15(18)17-14-7-5-4-6-13(14)9-11-16(17)19-3/h4-7,9,11-12,15,18H,8,10H2,1-3H3
InChIKeyWNEYGVDERBOZBR-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.32
Rot. Bonds5

About 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol

1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol (PubChem CID 65146073) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol.

Molecular Properties

Compound Name1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
PubChem CID65146073
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol
SMILESCOc1ccc2ccccc2c1C(O)CCC(C)C
InChIInChI=1S/C17H22O2/c1-12(2)8-10-15(18)17-14-7-5-4-6-13(14)9-11-16(17)19-3/h4-7,9,11-12,15,18H,8,10H2,1-3H3
InChIKeyWNEYGVDERBOZBR-UHFFFAOYSA-N
XLogP4.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol?
The IUPAC name of 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol (CID 65146073) is 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol.
What is the SMILES notation for 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol?
The canonical SMILES for 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol is COc1ccc2ccccc2c1C(O)CCC(C)C.
What is the InChIKey of 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol?
The InChIKey is WNEYGVDERBOZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-12(2)8-10-15(18)17-14-7-5-4-6-13(14)9-11-16(17)19-3/h4-7,9,11-12,15,18H,8,10H2,1-3H3.
What are the key properties of 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol?
1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxynaphthalen-1-yl)-4-methylpentan-1-ol is sourced from PubChem (CID 65146073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).