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

C18H21FO2 — CID 43313481

IUPAC[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol
SMILESCc1cc(C(C)(C)C)ccc1Oc1ccc(F)cc1CO
InChIInChI=1S/C18H21FO2/c1-12-9-14(18(2,3)4)5-7-16(12)21-17-8-6-15(19)10-13(17)11-20/h5-10,20H,11H2,1-4H3
InChIKeyIQEIAVGDAXKANI-UHFFFAOYSA-N
MW288.36 g/mol
LogP4.72
Rot. Bonds3

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

[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol (PubChem CID 43313481) has the molecular formula C18H21FO2 and a molecular weight of 288.36 g/mol. Its IUPAC name is [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol
PubChem CID43313481
Molecular FormulaC18H21FO2
Molecular Weight288.36 g/mol
Exact Mass288.15
IUPAC Name[2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol
SMILESCc1cc(C(C)(C)C)ccc1Oc1ccc(F)cc1CO
InChIInChI=1S/C18H21FO2/c1-12-9-14(18(2,3)4)5-7-16(12)21-17-8-6-15(19)10-13(17)11-20/h5-10,20H,11H2,1-4H3
InChIKeyIQEIAVGDAXKANI-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

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Related Compounds

2-(4-tert-butyl-2-methylphenoxy)-4-fluoroaniline
CID 63457104
[2-(5-bromo-2-methylphenoxy)-5-fluorophenyl]methanol
CID 107284920
[4-bromo-2-(4-tert-butyl-2-methylphenoxy)phenyl]methanol
CID 43365121
[2-(2-chloro-4-methylphenoxy)-5-fluorophenyl]methanol
CID 62673083
[2-(2-bromo-4-fluorophenoxy)-5-fluorophenyl]methanol
CID 43313412
2-[4-fluoro-2-(hydroxymethyl)phenoxy]-4-(trifluoromethyl)benzaldehyde
CID 126636350
[2-(2,4-dimethylphenoxy)-5-fluorophenyl]methanamine
CID 43314141
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
[2-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methanol
CID 107100165
1-[4-(bromomethyl)-2-fluorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087600
1-[2-(bromomethyl)-4-chlorophenoxy]-4-tert-butyl-2-methylbenzene
CID 107087609
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567

Frequently Asked Questions

What is the IUPAC name of [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol?
The IUPAC name of [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol (CID 43313481) is [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol.
What is the SMILES notation for [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol?
The canonical SMILES for [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol is Cc1cc(C(C)(C)C)ccc1Oc1ccc(F)cc1CO.
What is the InChIKey of [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol?
The InChIKey is IQEIAVGDAXKANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO2/c1-12-9-14(18(2,3)4)5-7-16(12)21-17-8-6-15(19)10-13(17)11-20/h5-10,20H,11H2,1-4H3.
What are the key properties of [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol?
[2-(4-tert-butyl-2-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 [2-(4-tert-butyl-2-methylphenoxy)-5-fluorophenyl]methanol is sourced from PubChem (CID 43313481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).