1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone

C15H20O3 — CID 112548755

IUPAC1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCC2(O)CCCC2)c(C)c1
InChIInChI=1S/C15H20O3/c1-11-9-13(12(2)16)5-6-14(11)18-10-15(17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyNBBSUYSFPKATTA-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.88
Rot. Bonds4

About 1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone

1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone (PubChem CID 112548755) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
PubChem CID112548755
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone
SMILESCC(=O)c1ccc(OCC2(O)CCCC2)c(C)c1
InChIInChI=1S/C15H20O3/c1-11-9-13(12(2)16)5-6-14(11)18-10-15(17)7-3-4-8-15/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyNBBSUYSFPKATTA-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-[(4-tert-butyl-2-methylphenoxy)methyl]cyclopentan-1-ol
CID 65213115
1-[2-[(1-hydroxycyclopentyl)methoxy]-5-methylphenyl]ethanone
CID 65210652
N-(4-ethoxy-3-methylphenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111537291
2-(4-acetyl-2-methylphenoxy)-N-cyclopropylacetamide
CID 113231478
1-[3-methyl-4-(3-methylbutoxy)phenyl]ethanone
CID 91636342
3-chloro-4-[(1-hydroxycyclohexyl)methoxy]benzoic acid
CID 65208131
4-(4-acetyl-2-methylphenoxy)-N-methylbutanamide
CID 113386950
1-[4-[[1-(bromomethyl)cyclopropyl]methoxy]-3-methoxyphenyl]ethanone
CID 65008577
2-(1-hydroxycyclopentyl)-N-[3-methyl-4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 111539254
2-(4-acetyl-2-methylphenoxy)-N-(3-methoxypropyl)acetamide
CID 115610415
4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
CID 107671203
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone (CID 112548755) is 1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone is CC(=O)c1ccc(OCC2(O)CCCC2)c(C)c1.
What is the InChIKey of 1-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone?
The InChIKey is NBBSUYSFPKATTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-11-9-13(12(2)16)5-6-14(11)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-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone?
1-[4-[(1-hydroxycyclopentyl)methoxy]-3-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-[4-[(1-hydroxycyclopentyl)methoxy]-3-methylphenyl]ethanone is sourced from PubChem (CID 112548755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).