[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol

C16H15ClF2O3 — CID 163997876

IUPAC[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol
SMILESCOc1cc(F)c(C(O)OC)cc1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H15ClF2O3/c1-21-14-8-13(18)11(16(20)22-2)7-10(14)6-9-4-3-5-12(17)15(9)19/h3-5,7-8,16,20H,6H2,1-2H3
InChIKeyUGHYRWJDXSJGQA-UHFFFAOYSA-N
MW328.74 g/mol
LogP3.85
Rot. Bonds5

About [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol

[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol (PubChem CID 163997876) has the molecular formula C16H15ClF2O3 and a molecular weight of 328.74 g/mol. Its IUPAC name is [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol.

Molecular Properties

Compound Name[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol
PubChem CID163997876
Molecular FormulaC16H15ClF2O3
Molecular Weight328.74 g/mol
Exact Mass328.07
IUPAC Name[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol
SMILESCOc1cc(F)c(C(O)OC)cc1Cc1cccc(Cl)c1F
InChIInChI=1S/C16H15ClF2O3/c1-21-14-8-13(18)11(16(20)22-2)7-10(14)6-9-4-3-5-12(17)15(9)19/h3-5,7-8,16,20H,6H2,1-2H3
InChIKeyUGHYRWJDXSJGQA-UHFFFAOYSA-N
XLogP3.85
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.74
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoyl chloride
CID 24809695
5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxybenzoic acid;methyl 5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxybenzoate
CID 161118008
2-(3-chloro-2-fluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 116810239
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 82802069
5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoic acid;5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxybenzoyl chloride
CID 160694766
ethyl 2-[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxybenzoyl]prop-2-enoate;N-methylmethanamine
CID 143535268
5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxybenzoyl chloride;ethyl 2-[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxybenzoyl]-3-oxobutanoate
CID 159830783
7-[(3-chloro-2-fluorophenyl)methyl]-4-[dihydroxymethyl(hydroxymethyl)amino]-6-methoxy-4H-naphthalen-1-one
CID 118909811
ethyl 3-[5-[(3-chloro-2-fluorophenyl)methyl]-2,4-dimethoxyphenyl]-3-oxopropanoate
CID 24809654
1-(4-chloro-2,5-difluorophenyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 115832813
(3-chloro-2-fluorophenyl)-(2-fluoro-4,5-dimethoxyphenyl)methanamine
CID 81265393
ethyl (Z)-3-[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-3-hydroxy-2-[[(2S)-1-hydroxy-3-methylbutan-2-yl]iminomethyl]prop-2-enoate
CID 135974833

Frequently Asked Questions

What is the IUPAC name of [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol?
The IUPAC name of [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol (CID 163997876) is [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol.
What is the SMILES notation for [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol?
The canonical SMILES for [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol is COc1cc(F)c(C(O)OC)cc1Cc1cccc(Cl)c1F.
What is the InChIKey of [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol?
The InChIKey is UGHYRWJDXSJGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2O3/c1-21-14-8-13(18)11(16(20)22-2)7-10(14)6-9-4-3-5-12(17)15(9)19/h3-5,7-8,16,20H,6H2,1-2H3.
What are the key properties of [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol?
[5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol has a molecular weight of 328.74 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-chloro-2-fluorophenyl)methyl]-2-fluoro-4-methoxyphenyl]-methoxymethanol is sourced from PubChem (CID 163997876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).