[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol

C14H12ClFO2 — CID 114846231

IUPAC[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
SMILESCc1cc(Oc2ccc(Cl)cc2CO)ccc1F
InChIInChI=1S/C14H12ClFO2/c1-9-6-12(3-4-13(9)16)18-14-5-2-11(15)7-10(14)8-17/h2-7,17H,8H2,1H3
InChIKeyLKMPHQRGRQRTHN-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.07
Rot. Bonds3

About [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol

[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol (PubChem CID 114846231) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
PubChem CID114846231
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol
SMILESCc1cc(Oc2ccc(Cl)cc2CO)ccc1F
InChIInChI=1S/C14H12ClFO2/c1-9-6-12(3-4-13(9)16)18-14-5-2-11(15)7-10(14)8-17/h2-7,17H,8H2,1H3
InChIKeyLKMPHQRGRQRTHN-UHFFFAOYSA-N
XLogP4.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]-N-methylmethanamine
CID 114857626
[2-(4-fluoro-3-methylphenoxy)-5-methylphenyl]methanamine
CID 107926537
4-[2-(bromomethyl)phenoxy]-1-fluoro-2-methylbenzene
CID 107088974
[4-(4-chloro-2-methylphenoxy)phenyl]methanol
CID 28946141
[5-chloro-2-(3,4-difluorophenoxy)phenyl]methanamine
CID 62493344
[2-(2-bromo-4-fluorophenoxy)-5-chlorophenyl]methanol
CID 114845999
N-[[5-chloro-2-(3-fluoro-4-methylphenoxy)phenyl]methyl]propan-2-amine
CID 107169862
4-chloro-2-(chloromethyl)-1-(4-fluorophenoxy)benzene
CID 114846972
5-[2-(bromomethyl)-4-chlorophenoxy]-2-chloro-1,3-dimethylbenzene
CID 107087711
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150
N-[[5-chloro-2-(4-chloro-3-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857685

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol?
The IUPAC name of [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol (CID 114846231) is [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol is Cc1cc(Oc2ccc(Cl)cc2CO)ccc1F.
What is the InChIKey of [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol?
The InChIKey is LKMPHQRGRQRTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2/c1-9-6-12(3-4-13(9)16)18-14-5-2-11(15)7-10(14)8-17/h2-7,17H,8H2,1H3.
What are the key properties of [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol?
[5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol has a molecular weight of 266.70 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(4-fluoro-3-methylphenoxy)phenyl]methanol is sourced from PubChem (CID 114846231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).