1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol

C11H15FO2 — CID 117287870

IUPAC1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1ccc(CC(C)O)cc1F
InChIInChI=1S/C11H15FO2/c1-8(13)5-9-3-4-10(7-14-2)11(12)6-9/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyRKSYCWJQGXRLBP-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.90
Rot. Bonds4

About 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol

1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol (PubChem CID 117287870) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
PubChem CID117287870
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
SMILESCOCc1ccc(CC(C)O)cc1F
InChIInChI=1S/C11H15FO2/c1-8(13)5-9-3-4-10(7-14-2)11(12)6-9/h3-4,6,8,13H,5,7H2,1-2H3
InChIKeyRKSYCWJQGXRLBP-UHFFFAOYSA-N
XLogP1.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-ol
CID 117300594
1-[3,5-difluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117307929
1-[3-chloro-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117337294
1-[3-bromo-5-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117443726
O-[2-[3-fluoro-4-(methoxymethyl)phenyl]ethyl]hydroxylamine
CID 117288473
1-[4-(dimethylamino)-3-fluorophenyl]propan-2-ol
CID 117287208
1-[4-methoxy-2-(methoxymethyl)phenyl]propan-2-ol
CID 117300552
2-fluoro-1-[[4-[2-[3-fluoro-4-(methoxymethyl)phenyl]propyl]phenoxy]methyl]-4-propan-2-ylbenzene
CID 174350255
1-(4-fluoro-2-methoxyphenyl)propan-2-ol
CID 83675442
ethyl 2-[3-fluoro-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117357409
[2-fluoro-4-(2-methylpropyl)phenyl]methanamine
CID 63887126
methyl 3-fluoro-4-(2-hydroxypropyl)benzoate
CID 117302793

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol (CID 117287870) is 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol is COCc1ccc(CC(C)O)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol?
The InChIKey is RKSYCWJQGXRLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO2/c1-8(13)5-9-3-4-10(7-14-2)11(12)6-9/h3-4,6,8,13H,5,7H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol?
1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol has a molecular weight of 198.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117287870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).