2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol

C11H15FO2 — CID 83686232

IUPAC2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C(C)(C)CO)ccc1F
InChIInChI=1S/C11H15FO2/c1-11(2,7-13)8-4-5-9(12)10(6-8)14-3/h4-6,13H,7H2,1-3H3
InChIKeyBZBWCQMFLSDMEB-UHFFFAOYSA-N
MW198.24 g/mol
LogP2.10
Rot. Bonds3

About 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol

2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol (PubChem CID 83686232) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
PubChem CID83686232
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol
SMILESCOc1cc(C(C)(C)CO)ccc1F
InChIInChI=1S/C11H15FO2/c1-11(2,7-13)8-4-5-9(12)10(6-8)14-3/h4-6,13H,7H2,1-3H3
InChIKeyBZBWCQMFLSDMEB-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-amine
CID 83699270
2-[4-fluoro-3-(methoxymethyl)phenyl]-2-methylpropan-1-ol
CID 117303145
2-(4-methoxy-3-methylphenyl)-2-methylpropan-1-ol
CID 82125771
2-(3-chloro-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82126929
2-(3-tert-butyl-4-methoxyphenyl)-2-methylpropan-1-ol
CID 82129591
N-[2-(4-fluoro-3-methoxyphenyl)-2-methylpropyl]butanamide
CID 155520229
2-(3-fluoro-6-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303163
2-(4-fluoro-3-methoxyphenyl)-2-methylbutan-1-amine
CID 83835033
2-(4-bromo-3-fluorophenyl)-2-methylpropan-1-ol
CID 117369445
2-(6-fluoro-3-methoxy-2-methylphenyl)-2-methylpropan-1-ol
CID 117303162
2-[2-methoxy-5-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117373100
(3S)-3-amino-3-(4-fluoro-3-methoxyphenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171248300

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol (CID 83686232) is 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol is COc1cc(C(C)(C)CO)ccc1F.
What is the InChIKey of 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol?
The InChIKey is BZBWCQMFLSDMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-11(2,7-13)8-4-5-9(12)10(6-8)14-3/h4-6,13H,7H2,1-3H3.
What are the key properties of 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol?
2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol has a molecular weight of 198.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methoxyphenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 83686232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).