1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one

C14H18O3 — CID 103454073

IUPAC1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C14H18O3/c1-2-3-13(15)14(16)10-4-6-11(7-5-10)17-12-8-9-12/h4-7,12-13,15H,2-3,8-9H2,1H3
InChIKeyRQTGMSFPFRLSTJ-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.57
Rot. Bonds6

About 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one

1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one (PubChem CID 103454073) has the molecular formula C14H18O3 and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one
PubChem CID103454073
Molecular FormulaC14H18O3
Molecular Weight234.29 g/mol
Exact Mass234.13
IUPAC Name1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one
SMILESCCCC(O)C(=O)c1ccc(OC2CC2)cc1
InChIInChI=1S/C14H18O3/c1-2-3-13(15)14(16)10-4-6-11(7-5-10)17-12-8-9-12/h4-7,12-13,15H,2-3,8-9H2,1H3
InChIKeyRQTGMSFPFRLSTJ-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-cyclopropyloxyphenyl)-2-methylbutan-1-one
CID 114518839
1-(4-cyclopropyloxyphenyl)-2-hydroxy-3-methylbutan-1-one
CID 103455440
2-(4-cyclopropyloxyphenyl)pentanoic acid
CID 114520015
1-(4-cyclopropyloxyphenyl)-2-phenylbutan-1-one
CID 115812788
1-(4-chlorophenyl)-2-hydroxypentan-1-one
CID 103453897
1-(4-cyclopropyloxyphenyl)nonan-1-one
CID 115812846
(2R)-2-hydroxy-1-(4-methoxyphenyl)tetradecan-1-one
CID 102140123
2-amino-1-(4-cyclopentyloxyphenyl)propan-1-one
CID 82290159
ethyl 4-(4-aminocyclohexyl)oxybenzoate
CID 16756169
1-(4-cyclopropyloxyphenyl)propan-1-ol
CID 114518583
1-(3-cyclopropyloxyphenyl)-2-ethoxypentan-1-one
CID 114521268
(4-cyclopropyloxyphenyl)-(4-ethoxyphenyl)methanol
CID 114518502

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one?
The IUPAC name of 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one (CID 103454073) is 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one.
What is the SMILES notation for 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one?
The canonical SMILES for 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one is CCCC(O)C(=O)c1ccc(OC2CC2)cc1.
What is the InChIKey of 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one?
The InChIKey is RQTGMSFPFRLSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-2-3-13(15)14(16)10-4-6-11(7-5-10)17-12-8-9-12/h4-7,12-13,15H,2-3,8-9H2,1H3.
What are the key properties of 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one?
1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one has a molecular weight of 234.29 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyloxyphenyl)-2-hydroxypentan-1-one is sourced from PubChem (CID 103454073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).