[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol

C16H18ClNO3 — CID 107743646

IUPAC[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol
SMILESCNCc1ccc(Oc2ccc(CO)cc2OC)c(Cl)c1
InChIInChI=1S/C16H18ClNO3/c1-18-9-11-3-5-14(13(17)7-11)21-15-6-4-12(10-19)8-16(15)20-2/h3-8,18-19H,9-10H2,1-2H3
InChIKeyQLJMGMRHKNKHAN-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.35
Rot. Bonds6

About [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol

[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol (PubChem CID 107743646) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol.

Molecular Properties

Compound Name[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol
PubChem CID107743646
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol
SMILESCNCc1ccc(Oc2ccc(CO)cc2OC)c(Cl)c1
InChIInChI=1S/C16H18ClNO3/c1-18-9-11-3-5-14(13(17)7-11)21-15-6-4-12(10-19)8-16(15)20-2/h3-8,18-19H,9-10H2,1-2H3
InChIKeyQLJMGMRHKNKHAN-UHFFFAOYSA-N
XLogP3.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
1-[4-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-N-methylmethanamine
CID 4719426
1-[3-chloro-4-(4-chloro-2-methylphenoxy)phenyl]-N-methylmethanamine
CID 81154995
1-[4-(5-bromo-2-chlorophenoxy)-3-chlorophenyl]-N-methylmethanamine
CID 81154583
[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
CID 107742518
1-[3-(2-chloro-4-methylphenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105407266
1-[3-(2,4-dichlorophenoxy)-4-methylphenyl]-N-methylmethanamine
CID 105406792
[(3-chloro-4-methoxyphenyl)methylamino]methanol
CID 115228943
5-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743036
4-chloro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzonitrile
CID 107743034
1-[3-chloro-4-(2-chloro-4-nitrophenoxy)phenyl]-N-methylmethanamine
CID 81151385
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141

Frequently Asked Questions

What is the IUPAC name of [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol?
The IUPAC name of [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol (CID 107743646) is [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol.
What is the SMILES notation for [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol?
The canonical SMILES for [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol is CNCc1ccc(Oc2ccc(CO)cc2OC)c(Cl)c1.
What is the InChIKey of [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol?
The InChIKey is QLJMGMRHKNKHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-18-9-11-3-5-14(13(17)7-11)21-15-6-4-12(10-19)8-16(15)20-2/h3-8,18-19H,9-10H2,1-2H3.
What are the key properties of [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol?
[4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol has a molecular weight of 307.78 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-chloro-4-(methylaminomethyl)phenoxy]-3-methoxyphenyl]methanol is sourced from PubChem (CID 107743646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).