[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol

C15H13ClF2O3 — CID 99823533

IUPAC[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)cc(CO)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H13ClF2O3/c16-14-2-1-12(17)5-11(14)8-21-15-9(6-19)3-13(18)4-10(15)7-20/h1-5,19-20H,6-8H2
InChIKeyMOCFRWCXMDPECV-UHFFFAOYSA-N
MW314.71 g/mol
LogP3.18
Rot. Bonds5

About [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol

[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol (PubChem CID 99823533) has the molecular formula C15H13ClF2O3 and a molecular weight of 314.71 g/mol. Its IUPAC name is [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
PubChem CID99823533
Molecular FormulaC15H13ClF2O3
Molecular Weight314.71 g/mol
Exact Mass314.05
IUPAC Name[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
SMILESOCc1cc(F)cc(CO)c1OCc1cc(F)ccc1Cl
InChIInChI=1S/C15H13ClF2O3/c16-14-2-1-12(17)5-11(14)8-21-15-9(6-19)3-13(18)4-10(15)7-20/h1-5,19-20H,6-8H2
InChIKeyMOCFRWCXMDPECV-UHFFFAOYSA-N
XLogP3.18
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.71
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(2,6-dichlorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol
CID 112788149
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylphenyl]methanol
CID 102616489
[3,5-dichloro-2-[(2,4-difluorophenyl)methoxy]phenyl]methanol
CID 62196694
[4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-difluorophenyl]methanamine
CID 102615256
[5-[(2-chloro-5-fluorophenyl)methoxy]-2-pyridinyl]methanol
CID 102616515
[2-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]methanol
CID 112612937
3-chloro-2-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102616219
4-[(2-chloro-5-fluorophenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 102616192
[5-chloro-2-[(2,5-dichlorophenyl)methoxy]-3-methoxyphenyl]methanol
CID 104665993
1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
CID 102616175
3-bromo-2-[(2-chloro-5-fluorophenyl)methoxy]aniline
CID 102615065
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
CID 102615048

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The IUPAC name of [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol (CID 99823533) is [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol.
What is the SMILES notation for [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The canonical SMILES for [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol is OCc1cc(F)cc(CO)c1OCc1cc(F)ccc1Cl.
What is the InChIKey of [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
The InChIKey is MOCFRWCXMDPECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2O3/c16-14-2-1-12(17)5-11(14)8-21-15-9(6-19)3-13(18)4-10(15)7-20/h1-5,19-20H,6-8H2.
What are the key properties of [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol?
[2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol has a molecular weight of 314.71 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chloro-5-fluorophenyl)methoxy]-5-fluoro-3-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 99823533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).