[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol

C15H16ClNO3 — CID 107742775

IUPAC[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H16ClNO3/c1-19-15-7-10(8-18)3-5-14(15)20-9-11-2-4-12(16)13(17)6-11/h2-7,18H,8-9,17H2,1H3
InChIKeyJLPQXAPEYJLYCC-UHFFFAOYSA-N
MW293.75 g/mol
LogP3.00
Rot. Bonds5

About [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol

[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol (PubChem CID 107742775) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
PubChem CID107742775
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1OCc1ccc(Cl)c(N)c1
InChIInChI=1S/C15H16ClNO3/c1-19-15-7-10(8-18)3-5-14(15)20-9-11-2-4-12(16)13(17)6-11/h2-7,18H,8-9,17H2,1H3
InChIKeyJLPQXAPEYJLYCC-UHFFFAOYSA-N
XLogP3.00
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 53.00
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-chloro-5-[(2-methoxyphenoxy)methyl]aniline
CID 43349947
[4-[(3-aminophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742663
[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818
[3-[(4-chloro-3-fluorophenyl)methoxy]-4-methoxyphenyl]methanol
CID 107882229
5-[(2-bromo-4-chlorophenoxy)methyl]-2-chloroaniline
CID 43349955
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
3-[[4-(hydroxymethyl)-2-methoxyphenoxy]methyl]benzenecarbothioamide
CID 107743137
2-chloro-5-(methoxymethyl)aniline
CID 43349916
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
4-[(3,4-dichlorophenyl)methoxy]-3-methoxybenzamide
CID 6458100
2-chloro-5-[(2-methylphenoxy)methyl]aniline
CID 43349942
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426

Frequently Asked Questions

What is the IUPAC name of [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol (CID 107742775) is [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol is COc1cc(CO)ccc1OCc1ccc(Cl)c(N)c1.
What is the InChIKey of [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol?
The InChIKey is JLPQXAPEYJLYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO3/c1-19-15-7-10(8-18)3-5-14(15)20-9-11-2-4-12(16)13(17)6-11/h2-7,18H,8-9,17H2,1H3.
What are the key properties of [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol?
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol has a molecular weight of 293.75 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 107742775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).