1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol

C17H22O2 — CID 107892203

IUPAC1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
SMILESCCCC(C)Oc1c(C(C)O)ccc2ccccc12
InChIInChI=1S/C17H22O2/c1-4-7-12(2)19-17-15(13(3)18)11-10-14-8-5-6-9-16(14)17/h5-6,8-13,18H,4,7H2,1-3H3
InChIKeyIXXLKXCMKUIVHA-UHFFFAOYSA-N
MW258.36 g/mol
LogP4.46
Rot. Bonds5

About 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol

1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol (PubChem CID 107892203) has the molecular formula C17H22O2 and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol.

Molecular Properties

Compound Name1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
PubChem CID107892203
Molecular FormulaC17H22O2
Molecular Weight258.36 g/mol
Exact Mass258.16
IUPAC Name1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol
SMILESCCCC(C)Oc1c(C(C)O)ccc2ccccc12
InChIInChI=1S/C17H22O2/c1-4-7-12(2)19-17-15(13(3)18)11-10-14-8-5-6-9-16(14)17/h5-6,8-13,18H,4,7H2,1-3H3
InChIKeyIXXLKXCMKUIVHA-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol?
The IUPAC name of 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol (CID 107892203) is 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol.
What is the SMILES notation for 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol?
The canonical SMILES for 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol is CCCC(C)Oc1c(C(C)O)ccc2ccccc12.
What is the InChIKey of 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol?
The InChIKey is IXXLKXCMKUIVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O2/c1-4-7-12(2)19-17-15(13(3)18)11-10-14-8-5-6-9-16(14)17/h5-6,8-13,18H,4,7H2,1-3H3.
What are the key properties of 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol?
1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol has a molecular weight of 258.36 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pentan-2-yloxynaphthalen-2-yl)ethanol is sourced from PubChem (CID 107892203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).