5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol

C16H17FO2 — CID 162772442

IUPAC5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol
SMILESCOc1cc(-c2ccc(C(C)C)c(O)c2)ccc1F
InChIInChI=1S/C16H17FO2/c1-10(2)13-6-4-11(8-15(13)18)12-5-7-14(17)16(9-12)19-3/h4-10,18H,1-3H3
InChIKeyYNFJATLHIDPCTH-UHFFFAOYSA-N
MW260.31 g/mol
LogP4.33
Rot. Bonds3

About 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol

5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol (PubChem CID 162772442) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol
PubChem CID162772442
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol
SMILESCOc1cc(-c2ccc(C(C)C)c(O)c2)ccc1F
InChIInChI=1S/C16H17FO2/c1-10(2)13-6-4-11(8-15(13)18)12-5-7-14(17)16(9-12)19-3/h4-10,18H,1-3H3
InChIKeyYNFJATLHIDPCTH-UHFFFAOYSA-N
XLogP4.33
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluoro-3-methoxyphenyl)phenol
CID 53218581
3-(4-fluoro-3-methoxyphenyl)-5-methylphenol
CID 53218961
1,3-dichloro-5-(4-fluoro-3-methoxyphenyl)benzene
CID 134623746
4-(4-fluoro-3-methylphenyl)-2-methoxyphenol
CID 53220783
3-fluoro-4-(4-fluoro-3-methoxyphenyl)phenol
CID 53219460
2-fluoro-4-(3-fluoro-4-propan-2-ylphenyl)-1-propan-2-ylbenzene
CID 58823318
4-(4-fluoro-3-methoxyphenyl)benzoate
CID 86307174
4-(3,4-difluorophenyl)-6-propan-2-ylbenzene-1,3-diol
CID 68897164
4-(3-methoxy-4-propan-2-ylphenyl)pyridine
CID 177192747
2-chloro-4-(4-fluoro-3-methoxyphenyl)benzoic acid
CID 53226579
2-(4-fluoro-3-methoxyphenyl)pyrimidin-5-amine
CID 107922532
2-(4-fluoro-3-methoxyphenyl)-4,5-dihydroxybenzene-1,3-dicarbonitrile
CID 72547797

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol?
The IUPAC name of 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol (CID 162772442) is 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol.
What is the SMILES notation for 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol?
The canonical SMILES for 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol is COc1cc(-c2ccc(C(C)C)c(O)c2)ccc1F.
What is the InChIKey of 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol?
The InChIKey is YNFJATLHIDPCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-10(2)13-6-4-11(8-15(13)18)12-5-7-14(17)16(9-12)19-3/h4-10,18H,1-3H3.
What are the key properties of 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol?
5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol has a molecular weight of 260.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylphenol is sourced from PubChem (CID 162772442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).