[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol

C18H21FO2 — CID 106530108

IUPAC[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
SMILESCc1ccc(Oc2cc(F)cc(CO)c2)c(C(C)(C)C)c1
InChIInChI=1S/C18H21FO2/c1-12-5-6-17(16(7-12)18(2,3)4)21-15-9-13(11-20)8-14(19)10-15/h5-10,20H,11H2,1-4H3
InChIKeyAPYKIEMNPWGFBG-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.72
Rot. Bonds3

About [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol

[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol (PubChem CID 106530108) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
PubChem CID106530108
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
SMILESCc1ccc(Oc2cc(F)cc(CO)c2)c(C(C)(C)C)c1
InChIInChI=1S/C18H21FO2/c1-12-5-6-17(16(7-12)18(2,3)4)21-15-9-13(11-20)8-14(19)10-15/h5-10,20H,11H2,1-4H3
InChIKeyAPYKIEMNPWGFBG-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
CID 102814455
[3-fluoro-5-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 106530242
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
CID 106530613
3-[(2-tert-butyl-4-methylphenoxy)methyl]-5-fluoroaniline
CID 115980160
[3-(4-ethyl-2-methoxyphenoxy)-5-fluorophenyl]methanol
CID 107665951
[3-(2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 106530200
[3-fluoro-5-(2,4,5-trichlorophenoxy)phenyl]methanol
CID 106530101
[2-(2-tert-butyl-4-methylphenoxy)-6-chlorophenyl]methanol
CID 28945992
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
(3-fluoro-5-methoxyphenyl)methanol
CID 26985456
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587

Frequently Asked Questions

What is the IUPAC name of [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol (CID 106530108) is [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol is Cc1ccc(Oc2cc(F)cc(CO)c2)c(C(C)(C)C)c1.
What is the InChIKey of [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol?
The InChIKey is APYKIEMNPWGFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-12-5-6-17(16(7-12)18(2,3)4)21-15-9-13(11-20)8-14(19)10-15/h5-10,20H,11H2,1-4H3.
What are the key properties of [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol?
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol has a molecular weight of 288.36 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 106530108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).