1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene

C16H17FO2 — CID 174534861

IUPAC1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(C(C)c2ccc(F)cc2)c1OC
InChIInChI=1S/C16H17FO2/c1-11(12-7-9-13(17)10-8-12)14-5-4-6-15(18-2)16(14)19-3/h4-11H,1-3H3
InChIKeyBLDBYMHTERHMAA-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.99
Rot. Bonds4

About 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene

1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene (PubChem CID 174534861) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene
PubChem CID174534861
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene
SMILESCOc1cccc(C(C)c2ccc(F)cc2)c1OC
InChIInChI=1S/C16H17FO2/c1-11(12-7-9-13(17)10-8-12)14-5-4-6-15(18-2)16(14)19-3/h4-11H,1-3H3
InChIKeyBLDBYMHTERHMAA-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

1-[1-(4-fluorophenyl)ethyl]-2,4-dimethoxybenzene
CID 132933151
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
1-(3,4-difluorophenyl)-1-(2,3-dimethoxyphenyl)-N-methylmethanamine
CID 105145620
4-[1-(4-fluorophenyl)ethyl]-1,2,3-trimethoxy-5-methylbenzene
CID 175148983
1-(1-fluoropropyl)-2,3-dimethoxybenzene
CID 91020266
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanamine
CID 43589009
(2,3-dimethoxyphenyl)-[2-[1-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
CID 22737858
(2,3-dimethoxyphenyl)-(4-fluoro-2-methylphenyl)methanamine
CID 105142755
(2S)-2-(2,3-dimethoxyphenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(1H-indol-3-yl)ethanamine
CID 8645493
(1S)-1-(2,3-dimethoxyphenyl)-2,2,2-trifluoroethanamine
CID 66510258
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene (CID 174534861) is 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene is COc1cccc(C(C)c2ccc(F)cc2)c1OC.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene?
The InChIKey is BLDBYMHTERHMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11(12-7-9-13(17)10-8-12)14-5-4-6-15(18-2)16(14)19-3/h4-11H,1-3H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-2,3-dimethoxybenzene?
1-[1-(4-fluorophenyl)ethyl]-2,3-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]-2,3-dimethoxybenzene is sourced from PubChem (CID 174534861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).