4-fluoro-5-methyl-2-propan-2-yloxyphenol

C10H13FO2 — CID 125116043

IUPAC4-fluoro-5-methyl-2-propan-2-yloxyphenol
SMILESCc1cc(O)c(OC(C)C)cc1F
InChIInChI=1S/C10H13FO2/c1-6(2)13-10-5-8(11)7(3)4-9(10)12/h4-6,12H,1-3H3
InChIKeyGPNSKMREEUIRHI-UHFFFAOYSA-N
MW184.21 g/mol
LogP2.63
Rot. Bonds2

About 4-fluoro-5-methyl-2-propan-2-yloxyphenol

4-fluoro-5-methyl-2-propan-2-yloxyphenol (PubChem CID 125116043) has the molecular formula C10H13FO2 and a molecular weight of 184.21 g/mol. Its IUPAC name is 4-fluoro-5-methyl-2-propan-2-yloxyphenol.

Molecular Properties

Compound Name4-fluoro-5-methyl-2-propan-2-yloxyphenol
PubChem CID125116043
Molecular FormulaC10H13FO2
Molecular Weight184.21 g/mol
Exact Mass184.09
IUPAC Name4-fluoro-5-methyl-2-propan-2-yloxyphenol
SMILESCc1cc(O)c(OC(C)C)cc1F
InChIInChI=1S/C10H13FO2/c1-6(2)13-10-5-8(11)7(3)4-9(10)12/h4-6,12H,1-3H3
InChIKeyGPNSKMREEUIRHI-UHFFFAOYSA-N
XLogP2.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
1,2-difluoro-4-methyl-5-propan-2-yloxybenzene
CID 130512828
5-fluoro-4-methyl-2-propan-2-yloxybenzenecarbothioamide
CID 22955942
5-fluoro-4-methyl-2-propan-2-yloxybenzamide
CID 59113922
2-ethoxy-4-fluoro-5-methylphenol
CID 125115951
4-fluoro-2,5-dimethylphenol
CID 22627623
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991
2-bromo-4-fluoro-5-methylphenol
CID 84672831
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
2,5-di(propan-2-yloxy)phenol
CID 57426094
2,5-diethyl-4-propan-2-yloxyphenol
CID 162375189
2-chloro-4,5-di(propan-2-yloxy)phenol
CID 82268188

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methyl-2-propan-2-yloxyphenol?
The IUPAC name of 4-fluoro-5-methyl-2-propan-2-yloxyphenol (CID 125116043) is 4-fluoro-5-methyl-2-propan-2-yloxyphenol.
What is the SMILES notation for 4-fluoro-5-methyl-2-propan-2-yloxyphenol?
The canonical SMILES for 4-fluoro-5-methyl-2-propan-2-yloxyphenol is Cc1cc(O)c(OC(C)C)cc1F.
What is the InChIKey of 4-fluoro-5-methyl-2-propan-2-yloxyphenol?
The InChIKey is GPNSKMREEUIRHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO2/c1-6(2)13-10-5-8(11)7(3)4-9(10)12/h4-6,12H,1-3H3.
What are the key properties of 4-fluoro-5-methyl-2-propan-2-yloxyphenol?
4-fluoro-5-methyl-2-propan-2-yloxyphenol has a molecular weight of 184.21 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methyl-2-propan-2-yloxyphenol is sourced from PubChem (CID 125116043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).