[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone

C21H17FO3 — CID 7717780

IUPAC[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
SMILESCOc1ccc(COc2ccc(C(=O)c3ccccc3)cc2)cc1F
InChIInChI=1S/C21H17FO3/c1-24-20-12-7-15(13-19(20)22)14-25-18-10-8-17(9-11-18)21(23)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyLKXYYWJKLDNLLT-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.64
Rot. Bonds6

About [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone

[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone (PubChem CID 7717780) has the molecular formula C21H17FO3 and a molecular weight of 336.36 g/mol. Its IUPAC name is [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
PubChem CID7717780
Molecular FormulaC21H17FO3
Molecular Weight336.36 g/mol
Exact Mass336.12
IUPAC Name[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone
SMILESCOc1ccc(COc2ccc(C(=O)c3ccccc3)cc2)cc1F
InChIInChI=1S/C21H17FO3/c1-24-20-12-7-15(13-19(20)22)14-25-18-10-8-17(9-11-18)21(23)16-5-3-2-4-6-16/h2-13H,14H2,1H3
InChIKeyLKXYYWJKLDNLLT-UHFFFAOYSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
4-[(3-fluoro-4-methoxyphenyl)methoxy]benzamide
CID 7893423
[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 18956599
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
[4-(phenoxymethyl)phenyl]-phenylmethanone
CID 1262878
methyl acetate;[4-(naphthalen-2-ylmethoxy)phenyl]-phenylmethanone
CID 172781894
1-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 43503631
2-[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanimidamide
CID 43332381
3-chloro-4-[(3-fluoro-4-methoxyphenyl)methoxy]benzoic acid
CID 60651653
(3-fluoro-4-methoxyphenyl)-(4-phenylphenyl)methanone
CID 146005301

Frequently Asked Questions

What is the IUPAC name of [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone (CID 7717780) is [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone is COc1ccc(COc2ccc(C(=O)c3ccccc3)cc2)cc1F.
What is the InChIKey of [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone?
The InChIKey is LKXYYWJKLDNLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FO3/c1-24-20-12-7-15(13-19(20)22)14-25-18-10-8-17(9-11-18)21(23)16-5-3-2-4-6-16/h2-13H,14H2,1H3.
What are the key properties of [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone?
[4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone has a molecular weight of 336.36 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 7717780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).