(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol

C21H29FO2 — CID 167533116

IUPAC(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol
SMILESCC(C)c1cc(F)ccc1CO.Cc1ccc(CO)c(C(C)C)c1
InChIInChI=1S/C11H16O.C10H13FO/c1-8(2)11-6-9(3)4-5-10(11)7-12;1-7(2)10-5-9(11)4-3-8(10)6-12/h4-6,8,12H,7H2,1-3H3;3-5,7,12H,6H2,1-2H3
InChIKeyAFSLQMWZHAEALK-UHFFFAOYSA-N
MW332.46 g/mol
LogP5.05
Rot. Bonds4

About (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol

(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol (PubChem CID 167533116) has the molecular formula C21H29FO2 and a molecular weight of 332.46 g/mol. Its IUPAC name is (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol
PubChem CID167533116
Molecular FormulaC21H29FO2
Molecular Weight332.46 g/mol
Exact Mass332.22
IUPAC Name(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol
SMILESCC(C)c1cc(F)ccc1CO.Cc1ccc(CO)c(C(C)C)c1
InChIInChI=1S/C11H16O.C10H13FO/c1-8(2)11-6-9(3)4-5-10(11)7-12;1-7(2)10-5-9(11)4-3-8(10)6-12/h4-6,8,12H,7H2,1-3H3;3-5,7,12H,6H2,1-2H3
InChIKeyAFSLQMWZHAEALK-UHFFFAOYSA-N
XLogP5.05
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.46
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(hydroxymethyl)-3-propan-2-ylphenol
CID 22011208
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CID 130955433
1-benzyl-4-methyl-2-propan-2-ylbenzene
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(4-ethynyl-2-propan-2-ylphenyl)methanol
CID 146231303
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
4-methyl-2-propan-2-yl-1-(2,2,2-trifluoroethoxymethyl)benzene
CID 170761957
(2-fluoro-4-methyl-6-propan-2-ylphenyl)methanol
CID 155081921
2-(4-fluoro-2-methylphenyl)-4-methyl-1-propan-2-ylbenzene
CID 123460717
4-methyl-2-propan-2-yl-1-[(4-propan-2-ylphenyl)methyl]benzene
CID 141236987
(2,4-difluorophenyl)-(2-fluoro-5-methylphenyl)methanol
CID 62510487
[2-[(1S)-1-amino-2-methylpropyl]-5-fluorophenyl]methanol
CID 130731463

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol?
The IUPAC name of (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol (CID 167533116) is (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol.
What is the SMILES notation for (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol?
The canonical SMILES for (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol is CC(C)c1cc(F)ccc1CO.Cc1ccc(CO)c(C(C)C)c1.
What is the InChIKey of (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol?
The InChIKey is AFSLQMWZHAEALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O.C10H13FO/c1-8(2)11-6-9(3)4-5-10(11)7-12;1-7(2)10-5-9(11)4-3-8(10)6-12/h4-6,8,12H,7H2,1-3H3;3-5,7,12H,6H2,1-2H3.
What are the key properties of (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol?
(4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol has a molecular weight of 332.46 g/mol, XLogP of 5.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-propan-2-ylphenyl)methanol;(4-methyl-2-propan-2-ylphenyl)methanol is sourced from PubChem (CID 167533116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).