1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone

C17H18ClNO2 — CID 110447559

IUPAC1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2ccc(C(O)CCN)cc2)c1
InChIInChI=1S/C17H18ClNO2/c1-11(20)14-6-7-16(18)15(10-14)12-2-4-13(5-3-12)17(21)8-9-19/h2-7,10,17,21H,8-9,19H2,1H3
InChIKeyZQWVIVXEYZTZIO-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.59
Rot. Bonds5

About 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone

1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone (PubChem CID 110447559) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone
PubChem CID110447559
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone
SMILESCC(=O)c1ccc(Cl)c(-c2ccc(C(O)CCN)cc2)c1
InChIInChI=1S/C17H18ClNO2/c1-11(20)14-6-7-16(18)15(10-14)12-2-4-13(5-3-12)17(21)8-9-19/h2-7,10,17,21H,8-9,19H2,1H3
InChIKeyZQWVIVXEYZTZIO-UHFFFAOYSA-N
XLogP3.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-3-[4-[hydroxy(methylamino)methyl]phenyl]phenyl]ethanone
CID 82540238
1-[3-[3-(3-amino-1-hydroxypropyl)phenyl]-4-fluorophenyl]ethanone
CID 82542553
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
1-[4-chloro-3-(3,4,5-trifluorophenyl)phenyl]ethanone
CID 172651113
4-chloro-3-(4-propan-2-ylphenyl)benzoic acid
CID 82124138
1-[4-(4-amino-1,2-dihydroxybutyl)phenyl]ethanone
CID 171881183
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
1-[4-[4-(1-hydroxypropyl)phenyl]phenyl]ethanone
CID 91137941
4-[5-(1-aminoethyl)-2-chlorophenyl]benzoic acid
CID 82541823
1-[5-(4-amino-1,2-dihydroxybutyl)-2-chlorophenyl]ethanone
CID 171881579
1-[4-chloro-3-(3,4-dimethoxyphenyl)phenyl]ethanone
CID 82540809
1-[4-(1-hydroxyoctadecyl)phenyl]ethanone
CID 175118558

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone?
The IUPAC name of 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone (CID 110447559) is 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone.
What is the SMILES notation for 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone?
The canonical SMILES for 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone is CC(=O)c1ccc(Cl)c(-c2ccc(C(O)CCN)cc2)c1.
What is the InChIKey of 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone?
The InChIKey is ZQWVIVXEYZTZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-11(20)14-6-7-16(18)15(10-14)12-2-4-13(5-3-12)17(21)8-9-19/h2-7,10,17,21H,8-9,19H2,1H3.
What are the key properties of 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone?
1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone has a molecular weight of 303.79 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-amino-1-hydroxypropyl)phenyl]-4-chlorophenyl]ethanone is sourced from PubChem (CID 110447559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).