3-(4-fluoro-3-methoxyphenyl)-5-methylphenol

C14H13FO2 — CID 53218961

IUPAC3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
SMILESCOc1cc(-c2cc(C)cc(O)c2)ccc1F
InChIInChI=1S/C14H13FO2/c1-9-5-11(7-12(16)6-9)10-3-4-13(15)14(8-10)17-2/h3-8,16H,1-2H3
InChIKeyVRMICNLUKWDWFG-UHFFFAOYSA-N
MW232.25 g/mol
LogP3.52
Rot. Bonds2

About 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol

3-(4-fluoro-3-methoxyphenyl)-5-methylphenol (PubChem CID 53218961) has the molecular formula C14H13FO2 and a molecular weight of 232.25 g/mol. Its IUPAC name is 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol.

Molecular Properties

Compound Name3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
PubChem CID53218961
Molecular FormulaC14H13FO2
Molecular Weight232.25 g/mol
Exact Mass232.09
IUPAC Name3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
SMILESCOc1cc(-c2cc(C)cc(O)c2)ccc1F
InChIInChI=1S/C14H13FO2/c1-9-5-11(7-12(16)6-9)10-3-4-13(15)14(8-10)17-2/h3-8,16H,1-2H3
InChIKeyVRMICNLUKWDWFG-UHFFFAOYSA-N
XLogP3.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
4-(3,5-dimethylphenyl)-2-methoxyphenol
CID 53220752
3-(4-chloro-2-methoxyphenyl)-5-methylphenol
CID 53219061
3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol
CID 53219460
3-(3-methoxyphenyl)-5-methylphenol
CID 53218837
4-(4-fluoro-3-methylphenyl)-2-methoxyphenol
CID 53220783
5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol
CID 162772442
3-(3-fluoro-5-hydroxyphenyl)-5-methylphenol
CID 53218862
3-(4-methoxy-3-methylphenyl)-5-(trifluoromethyl)phenol
CID 53222022
4-(4-fluoro-3-methoxyphenyl)benzoate
CID 86307174
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol?
The IUPAC name of 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol (CID 53218961) is 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol.
What is the SMILES notation for 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol?
The canonical SMILES for 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol is COc1cc(-c2cc(C)cc(O)c2)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol?
The InChIKey is VRMICNLUKWDWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2/c1-9-5-11(7-12(16)6-9)10-3-4-13(15)14(8-10)17-2/h3-8,16H,1-2H3.
What are the key properties of 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol?
3-(4-fluoro-3-methoxyphenyl)-5-methylphenol has a molecular weight of 232.25 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methoxyphenyl)-5-methylphenol is sourced from PubChem (CID 53218961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).