2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol

C12H17FO2 — CID 117303138

IUPAC2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol
SMILESCOc1cc(CCO)cc(F)c1C(C)C
InChIInChI=1S/C12H17FO2/c1-8(2)12-10(13)6-9(4-5-14)7-11(12)15-3/h6-8,14H,4-5H2,1-3H3
InChIKeyBNGKSFASSFLSMY-UHFFFAOYSA-N
MW212.26 g/mol
LogP2.49
Rot. Bonds4

About 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol

2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol (PubChem CID 117303138) has the molecular formula C12H17FO2 and a molecular weight of 212.26 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol
PubChem CID117303138
Molecular FormulaC12H17FO2
Molecular Weight212.26 g/mol
Exact Mass212.12
IUPAC Name2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol
SMILESCOc1cc(CCO)cc(F)c1C(C)C
InChIInChI=1S/C12H17FO2/c1-8(2)12-10(13)6-9(4-5-14)7-11(12)15-3/h6-8,14H,4-5H2,1-3H3
InChIKeyBNGKSFASSFLSMY-UHFFFAOYSA-N
XLogP2.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 117325737
1-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 117347282
2-[4-methoxy-3,5-di(propan-2-yl)phenyl]ethanol
CID 117345630
2-[(3-fluoro-5-methoxy-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 117382016
2-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]ethanol
CID 117292370
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)propan-1-amine
CID 117324048
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene
CID 10358281
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
2-(3,4-dimethoxy-5-methylphenyl)ethanol
CID 117286355
3-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-3-methylbutanoic acid
CID 117424550
2-[3,4-dimethoxy-5-(trifluoromethyl)phenyl]ethanol
CID 117378332
3-methoxy-5-[2-(3,4,5-trifluorophenyl)ethyl]benzene-1,2-diol
CID 67960854

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol (CID 117303138) is 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol is COc1cc(CCO)cc(F)c1C(C)C.
What is the InChIKey of 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol?
The InChIKey is BNGKSFASSFLSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2/c1-8(2)12-10(13)6-9(4-5-14)7-11(12)15-3/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol?
2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol has a molecular weight of 212.26 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 117303138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).