6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one

C18H24O2 — CID 64748496

IUPAC6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CCC(Oc2ccc3c(c2)CCCC3=O)CC1
InChIInChI=1S/C18H24O2/c1-2-13-6-8-15(9-7-13)20-16-10-11-17-14(12-16)4-3-5-18(17)19/h10-13,15H,2-9H2,1H3
InChIKeyRBNNLKRWNDUTNF-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.55
Rot. Bonds3

About 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one

6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 64748496) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID64748496
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC1CCC(Oc2ccc3c(c2)CCCC3=O)CC1
InChIInChI=1S/C18H24O2/c1-2-13-6-8-15(9-7-13)20-16-10-11-17-14(12-16)4-3-5-18(17)19/h10-13,15H,2-9H2,1H3
InChIKeyRBNNLKRWNDUTNF-UHFFFAOYSA-N
XLogP4.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one (CID 64748496) is 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one is CCC1CCC(Oc2ccc3c(c2)CCCC3=O)CC1.
What is the InChIKey of 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is RBNNLKRWNDUTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-13-6-8-15(9-7-13)20-16-10-11-17-14(12-16)4-3-5-18(17)19/h10-13,15H,2-9H2,1H3.
What are the key properties of 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one?
6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylcyclohexyl)oxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 64748496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).