1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol

C16H18ClNO3 — CID 23856239

IUPAC1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
SMILESCOc1ccc(NCC(O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO3/c1-20-15-8-4-13(5-9-15)18-10-14(19)11-21-16-6-2-12(17)3-7-16/h2-9,14,18-19H,10-11H2,1H3
InChIKeyAARHOIRZKHYUQI-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.20
Rot. Bonds7

About 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol

1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol (PubChem CID 23856239) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
PubChem CID23856239
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
SMILESCOc1ccc(NCC(O)COc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClNO3/c1-20-15-8-4-13(5-9-15)18-10-14(19)11-21-16-6-2-12(17)3-7-16/h2-9,14,18-19H,10-11H2,1H3
InChIKeyAARHOIRZKHYUQI-UHFFFAOYSA-N
XLogP3.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 16800318
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
1-(4-chlorophenoxy)-3-(3,4-dichloroanilino)propan-2-ol
CID 63488455
1-(4-methoxyanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60901883
(2R)-1-(4-fluoroanilino)-3-[4-[(2R)-3-(4-fluoroanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1377310
1-(4-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79770932
1-(3-bromoanilino)-3-(4-methoxyphenoxy)propan-2-ol
CID 60719999
(2R)-1-(4-chlorophenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 39359453
1-(3,4-dichlorophenoxy)-3-(4-propan-2-ylanilino)propan-2-ol
CID 2725828
(2R)-1-(3,4-dimethylanilino)-3-[4-[(2R)-3-(3,4-dimethylanilino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 1362683
1-(4-chlorophenoxy)-3-(3,3-dimethylbutylamino)propan-2-ol
CID 115581085
1-(4-fluorophenoxy)-3-(3-methoxyanilino)propan-2-ol
CID 60719805

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol (CID 23856239) is 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol is COc1ccc(NCC(O)COc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol?
The InChIKey is AARHOIRZKHYUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-20-15-8-4-13(5-9-15)18-10-14(19)11-21-16-6-2-12(17)3-7-16/h2-9,14,18-19H,10-11H2,1H3.
What are the key properties of 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol?
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol has a molecular weight of 307.78 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol is sourced from PubChem (CID 23856239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).