(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone

C19H22ClNO3 — CID 70524382

IUPAC(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
SMILESCC(C)NCC(O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)21-11-17(22)12-24-18-9-5-15(6-10-18)19(23)14-3-7-16(20)8-4-14/h3-10,13,17,21-22H,11-12H2,1-2H3
InChIKeyUDBPLWQWYDTUAT-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.31
Rot. Bonds8

About (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone

(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone (PubChem CID 70524382) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
PubChem CID70524382
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
SMILESCC(C)NCC(O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClNO3/c1-13(2)21-11-17(22)12-24-18-9-5-15(6-10-18)19(23)14-3-7-16(20)8-4-14/h3-10,13,17,21-22H,11-12H2,1-2H3
InChIKeyUDBPLWQWYDTUAT-UHFFFAOYSA-N
XLogP3.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938620
1-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-methoxyethanone
CID 125358145
1-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2-methoxyethanone
CID 125358144
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 4883
4-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-N-methyl-4-oxobutanamide
CID 21450221
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
1-(but-3-yn-2-ylamino)-3-(4-chlorophenoxy)propan-2-ol
CID 114416810

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone (CID 70524382) is (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone is CC(C)NCC(O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone?
The InChIKey is UDBPLWQWYDTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(2)21-11-17(22)12-24-18-9-5-15(6-10-18)19(23)14-3-7-16(20)8-4-14/h3-10,13,17,21-22H,11-12H2,1-2H3.
What are the key properties of (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone?
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone has a molecular weight of 347.84 g/mol, XLogP of 3.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone is sourced from PubChem (CID 70524382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).