3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol

C15H20O2 — CID 134385541

IUPAC3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol
SMILESCC(C)(CCO)Oc1cccc2c1=CCCC=2
InChIInChI=1S/C15H20O2/c1-15(2,10-11-16)17-14-9-5-7-12-6-3-4-8-13(12)14/h5-9,16H,3-4,10-11H2,1-2H3
InChIKeyLUXKTDDVPFFMSE-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.58
Rot. Bonds4

About 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol

3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol (PubChem CID 134385541) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol
PubChem CID134385541
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol
SMILESCC(C)(CCO)Oc1cccc2c1=CCCC=2
InChIInChI=1S/C15H20O2/c1-15(2,10-11-16)17-14-9-5-7-12-6-3-4-8-13(12)14/h5-9,16H,3-4,10-11H2,1-2H3
InChIKeyLUXKTDDVPFFMSE-UHFFFAOYSA-N
XLogP1.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol?
The IUPAC name of 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol (CID 134385541) is 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol.
What is the SMILES notation for 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol?
The canonical SMILES for 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol is CC(C)(CCO)Oc1cccc2c1=CCCC=2.
What is the InChIKey of 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol?
The InChIKey is LUXKTDDVPFFMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-15(2,10-11-16)17-14-9-5-7-12-6-3-4-8-13(12)14/h5-9,16H,3-4,10-11H2,1-2H3.
What are the key properties of 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol?
3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol has a molecular weight of 232.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydronaphthalen-1-yloxy)-3-methylbutan-1-ol is sourced from PubChem (CID 134385541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).