[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol

C17H19FO2 — CID 63540052

IUPAC[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol
SMILESCc1ccc(C(C)C)cc1Oc1ccc(CO)cc1F
InChIInChI=1S/C17H19FO2/c1-11(2)14-6-4-12(3)17(9-14)20-16-7-5-13(10-19)8-15(16)18/h4-9,11,19H,10H2,1-3H3
InChIKeyHPRCBLJRPURBHD-UHFFFAOYSA-N
MW274.34 g/mol
LogP4.54
Rot. Bonds4

About [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol

[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol (PubChem CID 63540052) has the molecular formula C17H19FO2 and a molecular weight of 274.34 g/mol. Its IUPAC name is [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol
PubChem CID63540052
Molecular FormulaC17H19FO2
Molecular Weight274.34 g/mol
Exact Mass274.14
IUPAC Name[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol
SMILESCc1ccc(C(C)C)cc1Oc1ccc(CO)cc1F
InChIInChI=1S/C17H19FO2/c1-11(2)14-6-4-12(3)17(9-14)20-16-7-5-13(10-19)8-15(16)18/h4-9,11,19H,10H2,1-3H3
InChIKeyHPRCBLJRPURBHD-UHFFFAOYSA-N
XLogP4.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanone
CID 63533848
[6-(2-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]methanol
CID 61255694
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931
[4-(4-chloro-3,5-dimethylphenoxy)-3-fluorophenyl]methanol
CID 43369995
(1S)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284879
(1R)-1-[4-(5-bromo-2-methylphenoxy)-3-fluorophenyl]ethanol
CID 107284914
[4-(2,4-dibromophenoxy)-3-fluorophenyl]methanol
CID 64720660
[4-(3,5-difluorophenoxy)-3-fluorophenyl]methanol
CID 55112239
1,2,3,4-tetramethyl-5-(2-methyl-5-propan-2-ylphenoxy)benzene
CID 71382787
(3-fluoro-4-phenoxyphenyl)methanol
CID 28946102
N-methyl-1-[4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanamine
CID 63552391
2-[5-chloro-2-(2-methyl-5-propan-2-ylphenoxy)phenyl]ethanamine
CID 114863207

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol?
The IUPAC name of [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol (CID 63540052) is [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol?
The canonical SMILES for [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol is Cc1ccc(C(C)C)cc1Oc1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol?
The InChIKey is HPRCBLJRPURBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2/c1-11(2)14-6-4-12(3)17(9-14)20-16-7-5-13(10-19)8-15(16)18/h4-9,11,19H,10H2,1-3H3.
What are the key properties of [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol?
[3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol has a molecular weight of 274.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(2-methyl-5-propan-2-ylphenoxy)phenyl]methanol is sourced from PubChem (CID 63540052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).