1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one

C18H24O3 — CID 66367641

IUPAC1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
SMILESCOc1ccc(COC2CC(=O)C23CCCCCC3)cc1
InChIInChI=1S/C18H24O3/c1-20-15-8-6-14(7-9-15)13-21-17-12-16(19)18(17)10-4-2-3-5-11-18/h6-9,17H,2-5,10-13H2,1H3
InChIKeyXGFVCRDKQRHXOC-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.89
Rot. Bonds4

About 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one

1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one (PubChem CID 66367641) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
PubChem CID66367641
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one
SMILESCOc1ccc(COC2CC(=O)C23CCCCCC3)cc1
InChIInChI=1S/C18H24O3/c1-20-15-8-6-14(7-9-15)13-21-17-12-16(19)18(17)10-4-2-3-5-11-18/h6-9,17H,2-5,10-13H2,1H3
InChIKeyXGFVCRDKQRHXOC-UHFFFAOYSA-N
XLogP3.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one?
The IUPAC name of 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one (CID 66367641) is 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one.
What is the SMILES notation for 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one?
The canonical SMILES for 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one is COc1ccc(COC2CC(=O)C23CCCCCC3)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one?
The InChIKey is XGFVCRDKQRHXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c1-20-15-8-6-14(7-9-15)13-21-17-12-16(19)18(17)10-4-2-3-5-11-18/h6-9,17H,2-5,10-13H2,1H3.
What are the key properties of 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one?
1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one has a molecular weight of 288.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methoxy]spiro[3.6]decan-3-one is sourced from PubChem (CID 66367641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).