[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol

C14H14ClNO3 — CID 107742518

IUPAC[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1ccc(Cl)cc1N
InChIInChI=1S/C14H14ClNO3/c1-18-14-6-9(8-17)2-4-13(14)19-12-5-3-10(15)7-11(12)16/h2-7,17H,8,16H2,1H3
InChIKeyLCUCFCUGYJIDCO-UHFFFAOYSA-N
MW279.72 g/mol
LogP3.22
Rot. Bonds4

About [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol

[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol (PubChem CID 107742518) has the molecular formula C14H14ClNO3 and a molecular weight of 279.72 g/mol. Its IUPAC name is [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
PubChem CID107742518
Molecular FormulaC14H14ClNO3
Molecular Weight279.72 g/mol
Exact Mass279.07
IUPAC Name[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
SMILESCOc1cc(CO)ccc1Oc1ccc(Cl)cc1N
InChIInChI=1S/C14H14ClNO3/c1-18-14-6-9(8-17)2-4-13(14)19-12-5-3-10(15)7-11(12)16/h2-7,17H,8,16H2,1H3
InChIKeyLCUCFCUGYJIDCO-UHFFFAOYSA-N
XLogP3.22
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 53.22
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

[4-(2-amino-4-methoxyphenoxy)-3-methoxyphenyl]methanol
CID 107742492
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzamide
CID 107743804
5-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743036
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743034
[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
5-chloro-2-methoxyaniline;hydron;chloride
CID 164511506
[4-[(5-chloro-2-fluorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 102974846
[4-[(3-amino-4-chlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 107742775
[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743646
2-(2-bromo-4-methoxyphenoxy)-5-chloroaniline
CID 113443527
[3-bromo-4-(2-bromo-4-chlorophenoxy)phenyl]methanol
CID 114062434
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952

Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol?
The IUPAC name of [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol (CID 107742518) is [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol?
The canonical SMILES for [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol is COc1cc(CO)ccc1Oc1ccc(Cl)cc1N.
What is the InChIKey of [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol?
The InChIKey is LCUCFCUGYJIDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO3/c1-18-14-6-9(8-17)2-4-13(14)19-12-5-3-10(15)7-11(12)16/h2-7,17H,8,16H2,1H3.
What are the key properties of [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol?
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol has a molecular weight of 279.72 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol is sourced from PubChem (CID 107742518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).