1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol

C15H18O2 — CID 167905345

IUPAC1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol
SMILESOC(COc1cccc2c1CC=CC2)C1CC1
InChIInChI=1S/C15H18O2/c16-14(12-8-9-12)10-17-15-7-3-5-11-4-1-2-6-13(11)15/h1-3,5,7,12,14,16H,4,6,8-10H2
InChIKeyIQEXMCVTBQGRPQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

About 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol

1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol (PubChem CID 167905345) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol
PubChem CID167905345
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol
SMILESOC(COc1cccc2c1CC=CC2)C1CC1
InChIInChI=1S/C15H18O2/c16-14(12-8-9-12)10-17-15-7-3-5-11-4-1-2-6-13(11)15/h1-3,5,7,12,14,16H,4,6,8-10H2
InChIKeyIQEXMCVTBQGRPQ-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol?
The IUPAC name of 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol (CID 167905345) is 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol is OC(COc1cccc2c1CC=CC2)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol?
The InChIKey is IQEXMCVTBQGRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c16-14(12-8-9-12)10-17-15-7-3-5-11-4-1-2-6-13(11)15/h1-3,5,7,12,14,16H,4,6,8-10H2.
What are the key properties of 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol?
1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol has a molecular weight of 230.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(5,8-dihydronaphthalen-1-yloxy)ethanol is sourced from PubChem (CID 167905345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).