1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene

C15H15FO — CID 90166919

IUPAC1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
SMILESCc1cc(C)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FO/c1-11-8-12(2)15(14(16)9-11)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyIHXKVFCWSURXEZ-UHFFFAOYSA-N
MW230.28 g/mol
LogP4.02
Rot. Bonds3

About 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene

1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene (PubChem CID 90166919) has the molecular formula C15H15FO and a molecular weight of 230.28 g/mol. Its IUPAC name is 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
PubChem CID90166919
Molecular FormulaC15H15FO
Molecular Weight230.28 g/mol
Exact Mass230.11
IUPAC Name1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
SMILESCc1cc(C)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C15H15FO/c1-11-8-12(2)15(14(16)9-11)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3
InChIKeyIHXKVFCWSURXEZ-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
1-ethyl-3,5-dimethyl-2-phenylmethoxybenzene
CID 142077651
1-(3,5-dimethyl-2-phenylmethoxyphenyl)ethanone
CID 70039438
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117459780
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
CID 178032262
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117484065
1-chloro-5-fluoro-3-methyl-2-phenylmethoxybenzene
CID 164895451
1,2,3,5-tetrafluoro-4-phenylmethoxybenzene
CID 167523745
1-(1-isocyanoethyl)-3,5-dimethyl-2-phenylmethoxybenzene
CID 5038201
5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene?
The IUPAC name of 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene (CID 90166919) is 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene is Cc1cc(C)c(OCc2ccccc2)c(F)c1.
What is the InChIKey of 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene?
The InChIKey is IHXKVFCWSURXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FO/c1-11-8-12(2)15(14(16)9-11)17-10-13-6-4-3-5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene?
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene has a molecular weight of 230.28 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene is sourced from PubChem (CID 90166919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).