1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene

C14H21FO — CID 156645255

IUPAC1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
SMILESCOc1cc(F)ccc1C(C(C)C)C(C)C
InChIInChI=1S/C14H21FO/c1-9(2)14(10(3)4)12-7-6-11(15)8-13(12)16-5/h6-10,14H,1-5H3
InChIKeyAWDWADOFDNJJFE-UHFFFAOYSA-N
MW224.32 g/mol
LogP4.23
Rot. Bonds4

About 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene

1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene (PubChem CID 156645255) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
PubChem CID156645255
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene
SMILESCOc1cc(F)ccc1C(C(C)C)C(C)C
InChIInChI=1S/C14H21FO/c1-9(2)14(10(3)4)12-7-6-11(15)8-13(12)16-5/h6-10,14H,1-5H3
InChIKeyAWDWADOFDNJJFE-UHFFFAOYSA-N
XLogP4.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene 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-methoxyphenyl)propan-1-ol
CID 105426240
(1S,2R)-1-amino-1-(4-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171270199
(1S)-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 55253804
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
N-[1-(4-fluoro-2-methoxyphenyl)ethyl]propan-1-amine
CID 63066757
3-[1-(4-fluoro-2-methoxyphenyl)ethyl]azetidine
CID 142381651
(1R)-1-(4-fluoro-2-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171224876
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 55282422
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
(1R)-2,2,3,3,3-pentafluoro-1-(4-fluoro-2-methoxyphenyl)propan-1-amine
CID 171312588
(2R)-2-amino-2-(4-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171224919
1-bromo-1-(4-fluoro-2-methoxyphenyl)propan-2-one
CID 130773650

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene?
The IUPAC name of 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene (CID 156645255) is 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene?
The canonical SMILES for 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene is COc1cc(F)ccc1C(C(C)C)C(C)C.
What is the InChIKey of 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene?
The InChIKey is AWDWADOFDNJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-9(2)14(10(3)4)12-7-6-11(15)8-13(12)16-5/h6-10,14H,1-5H3.
What are the key properties of 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene?
1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene has a molecular weight of 224.32 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylpentan-3-yl)-4-fluoro-2-methoxybenzene is sourced from PubChem (CID 156645255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).