1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone

C15H20O3 — CID 65210652

IUPAC1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCC1(O)CCCC1
InChIInChI=1S/C15H20O3/c1-11-5-6-14(13(9-11)12(2)16)18-10-15(17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyDKUGGVMTMSMMTH-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.88
Rot. Bonds4

About 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone

1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone (PubChem CID 65210652) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
PubChem CID65210652
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCC1(O)CCCC1
InChIInChI=1S/C15H20O3/c1-11-5-6-14(13(9-11)12(2)16)18-10-15(17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyDKUGGVMTMSMMTH-UHFFFAOYSA-N
XLogP2.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[1-(bromomethyl)cyclohexyl]methoxy]-5-methylphenyl]ethanone
CID 65002255
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
CID 112548755
1-[[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 65213913
1-[[2-[(1S)-1-aminoethyl]-4-methylphenoxy]methyl]cyclohexan-1-ol
CID 79004887
1-(2-but-3-ynoxy-5-methylphenyl)ethanone
CID 43504869
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
4-(2-acetyl-4-methylphenoxy)-N-methylbutanamide
CID 63891424
2-(2-acetyl-4-methylphenoxy)-N-tert-butylacetamide
CID 43388654
1-[[2-[(1S)-1-aminoethyl]-5-methylphenoxy]methyl]cyclopentan-1-ol
CID 79004921
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
1-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
CID 65213115
1-[[4-methyl-2-[(2-methylpropylamino)methyl]phenoxy]methyl]cyclopentan-1-ol
CID 65211448

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone?
The IUPAC name of 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone (CID 65210652) is 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone?
The canonical SMILES for 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone is CC(=O)c1cc(C)ccc1OCC1(O)CCCC1.
What is the InChIKey of 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone?
The InChIKey is DKUGGVMTMSMMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-5-6-14(13(9-11)12(2)16)18-10-15(17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone?
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone has a molecular weight of 248.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone is sourced from PubChem (CID 65210652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).