1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone

C17H17NO3 — CID 90082972

IUPAC1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone
SMILESNc1c(OC2CC2)cccc1C(=O)C(O)c1ccccc1
InChIInChI=1S/C17H17NO3/c18-15-13(7-4-8-14(15)21-12-9-10-12)17(20)16(19)11-5-2-1-3-6-11/h1-8,12,16,19H,9-10,18H2
InChIKeyRSCMGYQRHIFIED-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.73
Rot. Bonds5

About 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone

1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone (PubChem CID 90082972) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone.

Molecular Properties

Compound Name1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone
PubChem CID90082972
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone
SMILESNc1c(OC2CC2)cccc1C(=O)C(O)c1ccccc1
InChIInChI=1S/C17H17NO3/c18-15-13(7-4-8-14(15)21-12-9-10-12)17(20)16(19)11-5-2-1-3-6-11/h1-8,12,16,19H,9-10,18H2
InChIKeyRSCMGYQRHIFIED-UHFFFAOYSA-N
XLogP2.73
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-cyclopropyloxyphenyl)-phenylmethanone
CID 90086550
2-amino-3-(4,4-dimethylcyclohexyl)oxybenzamide
CID 114341723
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
N-(2-amino-3-cyclopropyloxybenzoyl)ethenamine oxide
CID 163524571
1-(2-ethoxyphenyl)-2-hydroxy-2-phenylethanone
CID 22096604
2-amino-3-(oxolan-3-yloxy)benzoic acid
CID 115547271
2-amino-3-(3,4-dimethylcyclohexyl)oxybenzamide
CID 113333363
1-(2-fluoro-3-methoxyphenyl)-2-hydroxy-2-phenylethanone
CID 103458248
2-(4-propan-2-ylcyclohexyl)oxybenzoic acid
CID 70444480
2-amino-3-(3-methylcyclohexyl)oxybenzamide
CID 115547097
1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 70718116
(2S)-1-[4-(2-chlorophenoxy)piperidin-1-yl]-2-hydroxy-2-phenylethanone
CID 95861244

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone?
The IUPAC name of 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone (CID 90082972) is 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone.
What is the SMILES notation for 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone?
The canonical SMILES for 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone is Nc1c(OC2CC2)cccc1C(=O)C(O)c1ccccc1.
What is the InChIKey of 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone?
The InChIKey is RSCMGYQRHIFIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c18-15-13(7-4-8-14(15)21-12-9-10-12)17(20)16(19)11-5-2-1-3-6-11/h1-8,12,16,19H,9-10,18H2.
What are the key properties of 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone?
1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone has a molecular weight of 283.33 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-cyclopropyloxyphenyl)-2-hydroxy-2-phenylethanone is sourced from PubChem (CID 90082972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).