6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

C16H20O3 — CID 65210703

IUPAC6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCC3(O)CCCC3)ccc21
InChIInChI=1S/C16H20O3/c17-15-5-3-4-12-10-13(6-7-14(12)15)19-11-16(18)8-1-2-9-16/h6-7,10,18H,1-5,8-9,11H2
InChIKeyMRZLQMOLSYPDHB-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.89
Rot. Bonds3

About 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one

6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 65210703) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID65210703
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(OCC3(O)CCCC3)ccc21
InChIInChI=1S/C16H20O3/c17-15-5-3-4-12-10-13(6-7-14(12)15)19-11-16(18)8-1-2-9-16/h6-7,10,18H,1-5,8-9,11H2
InChIKeyMRZLQMOLSYPDHB-UHFFFAOYSA-N
XLogP2.89
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 65210703) is 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(OCC3(O)CCCC3)ccc21.
What is the InChIKey of 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is MRZLQMOLSYPDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-15-5-3-4-12-10-13(6-7-14(12)15)19-11-16(18)8-1-2-9-16/h6-7,10,18H,1-5,8-9,11H2.
What are the key properties of 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one?
6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 260.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclopentyl)methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 65210703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).