[3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol

C16H17FO2 — CID 145122947

IUPAC[3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol
SMILESCOCc1cc(C)ccc1-c1ccc(CO)cc1F
InChIInChI=1S/C16H17FO2/c1-11-3-5-14(13(7-11)10-19-2)15-6-4-12(9-18)8-16(15)17/h3-8,18H,9-10H2,1-2H3
InChIKeyBIOAIUYJYNOASE-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.44
Rot. Bonds4

About [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol

[3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol (PubChem CID 145122947) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol
PubChem CID145122947
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name[3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol
SMILESCOCc1cc(C)ccc1-c1ccc(CO)cc1F
InChIInChI=1S/C16H17FO2/c1-11-3-5-14(13(7-11)10-19-2)15-6-4-12(9-18)8-16(15)17/h3-8,18H,9-10H2,1-2H3
InChIKeyBIOAIUYJYNOASE-UHFFFAOYSA-N
XLogP3.44
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[2-(methoxymethyl)-4-(4-methylphenyl)phenyl]phenyl]methanol
CID 145122079
2-[4-[2-(methoxymethyl)-4-methylphenyl]-3-methylphenyl]ethanol
CID 145122544
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
butan-2-one;ethane;2-(methoxymethyl)-4-methyl-1-(4-methylphenyl)benzene
CID 142999553
1-[3-fluoro-4-(methoxymethyl)phenyl]propan-2-ol
CID 117287870
ethane;2-(methoxymethyl)-1,4-dimethylbenzene
CID 143876448
[4-(2-fluoro-4-methylphenyl)-2-(2-methoxyethyl)phenyl]methanol
CID 145121911
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829
[2,6-difluoro-4-(methoxymethyl)phenyl]methanol
CID 130130923
(3,4-difluorophenyl)methanol
CID 522833
1-[2-(methoxymethyl)-5-methylphenyl]-N-methylmethanamine
CID 170208514
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
CID 59215467

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol?
The IUPAC name of [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol (CID 145122947) is [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol.
What is the SMILES notation for [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol?
The canonical SMILES for [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol is COCc1cc(C)ccc1-c1ccc(CO)cc1F.
What is the InChIKey of [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol?
The InChIKey is BIOAIUYJYNOASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11-3-5-14(13(7-11)10-19-2)15-6-4-12(9-18)8-16(15)17/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol?
[3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol has a molecular weight of 260.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-[2-(methoxymethyl)-4-methylphenyl]phenyl]methanol is sourced from PubChem (CID 145122947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).