2-ethyl-1-fluoro-3-methoxy-4-methylbenzene

C10H13FO — CID 167211953

IUPAC2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
SMILESCCc1c(F)ccc(C)c1OC
InChIInChI=1S/C10H13FO/c1-4-8-9(11)6-5-7(2)10(8)12-3/h5-6H,4H2,1-3H3
InChIKeyFSPIKPVTUQTNSO-UHFFFAOYSA-N
MW168.21 g/mol
LogP2.71
Rot. Bonds2

About 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene

2-ethyl-1-fluoro-3-methoxy-4-methylbenzene (PubChem CID 167211953) has the molecular formula C10H13FO and a molecular weight of 168.21 g/mol. Its IUPAC name is 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
PubChem CID167211953
Molecular FormulaC10H13FO
Molecular Weight168.21 g/mol
Exact Mass168.10
IUPAC Name2-ethyl-1-fluoro-3-methoxy-4-methylbenzene
SMILESCCc1c(F)ccc(C)c1OC
InChIInChI=1S/C10H13FO/c1-4-8-9(11)6-5-7(2)10(8)12-3/h5-6H,4H2,1-3H3
InChIKeyFSPIKPVTUQTNSO-UHFFFAOYSA-N
XLogP2.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(6-fluoro-2-methoxy-3-methylphenyl)butan-1-amine
CID 117301936
2-(6-fluoro-2-methoxy-3-methylphenyl)acetic acid
CID 84668066
butane;1,2-difluoro-3-methoxy-4-methylbenzene
CID 166159976
2-(cyclopentyloxymethyl)-1-fluoro-3-methoxy-4-methylbenzene
CID 167222022
1-fluoro-2,3-bis(methoxymethyl)-4-methylbenzene
CID 176835455
3-(3,6-difluoro-2-methoxyphenyl)propan-1-amine
CID 117290010
1-fluoro-2-methoxy-4-methyl-3-propan-2-yloxybenzene
CID 130057945
6-fluoro-2-methoxy-3-methylbenzoic acid
CID 84659421
1-(2,2-dimethylpropyl)-2,4-difluoro-3-methoxybenzene
CID 59139832
1-(6-fluoro-2-methoxy-3-methylphenyl)ethanone
CID 84658393
N-[(2,6-difluorophenyl)methyl]-3-methoxy-2,4-dimethylaniline
CID 43738958
1-fluoro-2-(fluoromethyl)-3,4-dimethoxybenzene
CID 118830405

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene?
The IUPAC name of 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene (CID 167211953) is 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene.
What is the SMILES notation for 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene?
The canonical SMILES for 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene is CCc1c(F)ccc(C)c1OC.
What is the InChIKey of 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene?
The InChIKey is FSPIKPVTUQTNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO/c1-4-8-9(11)6-5-7(2)10(8)12-3/h5-6H,4H2,1-3H3.
What are the key properties of 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene?
2-ethyl-1-fluoro-3-methoxy-4-methylbenzene has a molecular weight of 168.21 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-fluoro-3-methoxy-4-methylbenzene is sourced from PubChem (CID 167211953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).