1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene

C16H17FO2 — CID 132933151

IUPAC1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(C)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C16H17FO2/c1-11(12-4-6-13(17)7-5-12)15-9-8-14(18-2)10-16(15)19-3/h4-11H,1-3H3
InChIKeyRWKMBUJQPPVHCA-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.99
Rot. Bonds4

About 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene

1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene (PubChem CID 132933151) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene
PubChem CID132933151
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene
SMILESCOc1ccc(C(C)c2ccc(F)cc2)c(OC)c1
InChIInChI=1S/C16H17FO2/c1-11(12-4-6-13(17)7-5-12)15-9-8-14(18-2)10-16(15)19-3/h4-11H,1-3H3
InChIKeyRWKMBUJQPPVHCA-UHFFFAOYSA-N
XLogP3.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[1-(2,4-dimethoxyphenyl)ethyl]phenoxy]acetic acid
CID 20678011
1-(2,4-dimethoxyphenyl)ethanethiol
CID 43124104
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
2-[chloro-(4-fluorophenyl)methyl]-1,4-dimethoxybenzene
CID 61085947
1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene
CID 174534861
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
(3-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43248329
N-[1-(2-fluoro-4-methoxyphenyl)ethyl]-1-(4-fluorophenyl)ethanamine
CID 43766662
1-(2,4-dimethoxyphenyl)-3-[1-(4-fluorophenyl)ethyl]thiourea
CID 133215327
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene (CID 132933151) is 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene is COc1ccc(C(C)c2ccc(F)cc2)c(OC)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene?
The InChIKey is RWKMBUJQPPVHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11(12-4-6-13(17)7-5-12)15-9-8-14(18-2)10-16(15)19-3/h4-11H,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene?
1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene has a molecular weight of 260.31 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene is sourced from PubChem (CID 132933151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).