1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene

C14H13FOS — CID 70699755

IUPAC1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
SMILESCOc1cc(F)cc(-c2ccc(SC)cc2)c1
InChIInChI=1S/C14H13FOS/c1-16-13-8-11(7-12(15)9-13)10-3-5-14(17-2)6-4-10/h3-9H,1-2H3
InChIKeyVZWOBFKLJLVVIP-UHFFFAOYSA-N
MW248.32 g/mol
LogP4.22
Rot. Bonds3

About 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene

1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene (PubChem CID 70699755) has the molecular formula C14H13FOS and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene.

Molecular Properties

Compound Name1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
PubChem CID70699755
Molecular FormulaC14H13FOS
Molecular Weight248.32 g/mol
Exact Mass248.07
IUPAC Name1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
SMILESCOc1cc(F)cc(-c2ccc(SC)cc2)c1
InChIInChI=1S/C14H13FOS/c1-16-13-8-11(7-12(15)9-13)10-3-5-14(17-2)6-4-10/h3-9H,1-2H3
InChIKeyVZWOBFKLJLVVIP-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
[4-(3-fluoro-5-methoxyphenyl)phenyl]methanol
CID 170385205
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
3-(3-fluoro-5-methoxyphenyl)-1H-pyrrole
CID 174803802
1-(4-methoxyphenyl)-3-methylsulfanyl-5-(trifluoromethoxy)benzene
CID 171367745
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
1,2,3-trifluoro-4-(3-fluoro-5-methoxyphenyl)benzene
CID 165487058
CID 58361867
CID 58361867
1,2-difluoro-3-(3-fluoro-5-methoxyphenyl)benzene
CID 134627065

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene?
The IUPAC name of 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene (CID 70699755) is 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene.
What is the SMILES notation for 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene?
The canonical SMILES for 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene is COc1cc(F)cc(-c2ccc(SC)cc2)c1.
What is the InChIKey of 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene?
The InChIKey is VZWOBFKLJLVVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FOS/c1-16-13-8-11(7-12(15)9-13)10-3-5-14(17-2)6-4-10/h3-9H,1-2H3.
What are the key properties of 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene?
1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene has a molecular weight of 248.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene is sourced from PubChem (CID 70699755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).