2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol

C14H18O2 — CID 58241918

IUPAC2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol
SMILESCCC1=Cc2c(cccc2OCCO)CC1
InChIInChI=1S/C14H18O2/c1-2-11-6-7-12-4-3-5-14(13(12)10-11)16-9-8-15/h3-5,10,15H,2,6-9H2,1H3
InChIKeyQAPIAPCCKVWCBN-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.80
Rot. Bonds4

About 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol

2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol (PubChem CID 58241918) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol
PubChem CID58241918
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol
SMILESCCC1=Cc2c(cccc2OCCO)CC1
InChIInChI=1S/C14H18O2/c1-2-11-6-7-12-4-3-5-14(13(12)10-11)16-9-8-15/h3-5,10,15H,2,6-9H2,1H3
InChIKeyQAPIAPCCKVWCBN-UHFFFAOYSA-N
XLogP2.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol?
The IUPAC name of 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol (CID 58241918) is 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol.
What is the SMILES notation for 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol?
The canonical SMILES for 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol is CCC1=Cc2c(cccc2OCCO)CC1.
What is the InChIKey of 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol?
The InChIKey is QAPIAPCCKVWCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-2-11-6-7-12-4-3-5-14(13(12)10-11)16-9-8-15/h3-5,10,15H,2,6-9H2,1H3.
What are the key properties of 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol?
2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol has a molecular weight of 218.30 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-ethyl-5,6-dihydronaphthalen-1-yl)oxy]ethanol is sourced from PubChem (CID 58241918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).