(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone

C16H15FO2 — CID 115787635

IUPAC(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)cc(F)c2)ccc1C
InChIInChI=1S/C16H15FO2/c1-10-6-13(8-14(17)7-10)16(18)12-5-4-11(2)15(9-12)19-3/h4-9H,1-3H3
InChIKeyDOBQIGJLJOHSGD-UHFFFAOYSA-N
MW258.29 g/mol
LogP3.68
Rot. Bonds3

About (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone

(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone (PubChem CID 115787635) has the molecular formula C16H15FO2 and a molecular weight of 258.29 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
PubChem CID115787635
Molecular FormulaC16H15FO2
Molecular Weight258.29 g/mol
Exact Mass258.11
IUPAC Name(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
SMILESCOc1cc(C(=O)c2cc(C)cc(F)c2)ccc1C
InChIInChI=1S/C16H15FO2/c1-10-6-13(8-14(17)7-10)16(18)12-5-4-11(2)15(9-12)19-3/h4-9H,1-3H3
InChIKeyDOBQIGJLJOHSGD-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 79020421
(3-fluoro-5-methylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006913
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
[4-(3,5-difluorobenzoyl)piperazin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 55808045
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,3-dimethoxyphenyl)-(3-fluoro-5-methylphenyl)methanone
CID 105118811
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(3-fluoro-5-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 112694116
(3,5-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159976
(4-fluoro-2,6-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 106876723
(3-bromo-5-fluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 43474017

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone (CID 115787635) is (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone is COc1cc(C(=O)c2cc(C)cc(F)c2)ccc1C.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is DOBQIGJLJOHSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO2/c1-10-6-13(8-14(17)7-10)16(18)12-5-4-11(2)15(9-12)19-3/h4-9H,1-3H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone?
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 258.29 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 115787635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).