(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone

C16H15FO2 — CID 66635454

IUPAC(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone
SMILESCOCc1ccc(C(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C16H15FO2/c1-11-8-13(6-7-14(11)10-19-2)16(18)12-4-3-5-15(17)9-12/h3-9H,10H2,1-2H3
InChIKeyINAMHYIOZCGACE-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.51
Rot. Bonds4

About (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone

(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone (PubChem CID 66635454) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone
PubChem CID66635454
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone
SMILESCOCc1ccc(C(=O)c2cccc(F)c2)cc1C
InChIInChI=1S/C16H15FO2/c1-11-8-13(6-7-14(11)10-19-2)16(18)12-4-3-5-15(17)9-12/h3-9H,10H2,1-2H3
InChIKeyINAMHYIOZCGACE-UHFFFAOYSA-N
XLogP3.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(methoxymethyl)-3-methylphenyl]-thiophen-2-ylmethanone
CID 66635446
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
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(3-fluoro-4-methoxyphenyl)-(3-fluorophenyl)methanone
CID 22015795
(4-fluoro-2,6-dimethylphenyl)-(3-fluorophenyl)methanone
CID 106877008
2-[4-(3-fluorobenzoyl)phenyl]acetic acid
CID 82120891
(3-fluorophenyl)-(3-methoxy-2-bicyclo[2.2.0]hexa-1(4),2,5-trienyl)methanone
CID 21487912
2-(4-fluoro-2-methylphenyl)-1-phenylethanone
CID 114347156
3-(2,4-dimethylphenyl)-1-(3-fluorophenyl)propan-1-one
CID 24726289
methyl 3-fluorobenzoate
CID 521184
(3-fluorophenyl)-[2-(2-methoxyethoxy)phenyl]methanone
CID 104659113
(3-bromo-4-ethoxyphenyl)-(3-fluorophenyl)methanone
CID 104656786
(3-bromophenyl)-(3-fluorophenyl)methanone
CID 19780750

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone (CID 66635454) is (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone is COCc1ccc(C(=O)c2cccc(F)c2)cc1C.
What is the InChIKey of (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone?
The InChIKey is INAMHYIOZCGACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-11-8-13(6-7-14(11)10-19-2)16(18)12-4-3-5-15(17)9-12/h3-9H,10H2,1-2H3.
What are the key properties of (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone?
(3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone has a molecular weight of 258.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(methoxymethyl)-3-methylphenyl]methanone is sourced from PubChem (CID 66635454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).