ethane;4-fluoro-1-methoxy-2-methylbenzene

C12H21FO — CID 143329013

IUPACethane;4-fluoro-1-methoxy-2-methylbenzene
SMILESCC.CC.COc1ccc(F)cc1C
InChIInChI=1S/C8H9FO.2C2H6/c1-6-5-7(9)3-4-8(6)10-2;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyXWPOOOQWQZVXFP-UHFFFAOYSA-N
MW200.30 g/mol
LogP4.20
Rot. Bonds1

About ethane;4-fluoro-1-methoxy-2-methylbenzene

ethane;4-fluoro-1-methoxy-2-methylbenzene (PubChem CID 143329013) has the molecular formula C12H21FO and a molecular weight of 200.30 g/mol. Its IUPAC name is ethane;4-fluoro-1-methoxy-2-methylbenzene.

Molecular Properties

Compound Nameethane;4-fluoro-1-methoxy-2-methylbenzene
PubChem CID143329013
Molecular FormulaC12H21FO
Molecular Weight200.30 g/mol
Exact Mass200.16
IUPAC Nameethane;4-fluoro-1-methoxy-2-methylbenzene
SMILESCC.CC.COc1ccc(F)cc1C
InChIInChI=1S/C8H9FO.2C2H6/c1-6-5-7(9)3-4-8(6)10-2;2*1-2/h3-5H,1-2H3;2*1-2H3
InChIKeyXWPOOOQWQZVXFP-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;4-fluoro-1-methoxy-2-methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-2-methylphenoxy)-4,5-dimethoxyaniline
CID 83008312
1-(difluoromethoxy)-4-fluoro-2-methylbenzene
CID 46311597
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
4-fluoro-2-methyl-1-(2-methylphenoxy)benzene
CID 69045546
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-3-methylaniline
CID 115967998
(5-fluoro-2-methoxyphenyl)borane
CID 3475822
(5-fluoro-2-methoxyphenyl)phosphane
CID 158974497
(4-fluoro-2-methylphenoxy)boronic acid
CID 14579594
4-fluoro-2-N-(4-methoxy-3-methylphenyl)-2-N-methylbenzene-1,2-diamine
CID 115124095
5-(4-fluoro-2-methylphenyl)-2-methoxyaniline
CID 54971518
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155

Frequently Asked Questions

What is the IUPAC name of ethane;4-fluoro-1-methoxy-2-methylbenzene?
The IUPAC name of ethane;4-fluoro-1-methoxy-2-methylbenzene (CID 143329013) is ethane;4-fluoro-1-methoxy-2-methylbenzene.
What is the SMILES notation for ethane;4-fluoro-1-methoxy-2-methylbenzene?
The canonical SMILES for ethane;4-fluoro-1-methoxy-2-methylbenzene is CC.CC.COc1ccc(F)cc1C.
What is the InChIKey of ethane;4-fluoro-1-methoxy-2-methylbenzene?
The InChIKey is XWPOOOQWQZVXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO.2C2H6/c1-6-5-7(9)3-4-8(6)10-2;2*1-2/h3-5H,1-2H3;2*1-2H3.
What are the key properties of ethane;4-fluoro-1-methoxy-2-methylbenzene?
ethane;4-fluoro-1-methoxy-2-methylbenzene has a molecular weight of 200.30 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-fluoro-1-methoxy-2-methylbenzene is sourced from PubChem (CID 143329013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).