2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol

C14H21FO2 — CID 113453955

IUPAC2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
SMILESCOc1cccc(CC(CO)CC(C)C)c1F
InChIInChI=1S/C14H21FO2/c1-10(2)7-11(9-16)8-12-5-4-6-13(17-3)14(12)15/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyAQWHPRKATFEZAA-UHFFFAOYSA-N
MW240.32 g/mol
LogP3.03
Rot. Bonds6

About 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol

2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol (PubChem CID 113453955) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
PubChem CID113453955
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
SMILESCOc1cccc(CC(CO)CC(C)C)c1F
InChIInChI=1S/C14H21FO2/c1-10(2)7-11(9-16)8-12-5-4-6-13(17-3)14(12)15/h4-6,10-11,16H,7-9H2,1-3H3
InChIKeyAQWHPRKATFEZAA-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol 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-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
CID 104794588
4-(2-fluoro-3-methoxyphenyl)-3-methylbutan-2-amine
CID 104792644
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(2,3-difluorophenyl)-3-(2-fluoro-3-methoxyphenyl)propan-2-amine
CID 105035587
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
4-(2-fluoro-3-methoxyphenyl)-3-methylbutanoic acid
CID 104795667
2-[(2-fluoro-3-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 104791915
1-(2-fluoro-3-methoxyphenyl)-5-methylhexan-3-amine
CID 104792686
2-(2-fluoro-3-methoxyphenyl)-1-(2,3,4-trifluorophenyl)ethanol
CID 115832717
1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 105125713
1-(2-fluoro-3-methoxyphenyl)-N,5-dimethylhexan-3-amine
CID 104792687

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol?
The IUPAC name of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol (CID 113453955) is 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol is COc1cccc(CC(CO)CC(C)C)c1F.
What is the InChIKey of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol?
The InChIKey is AQWHPRKATFEZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-10(2)7-11(9-16)8-12-5-4-6-13(17-3)14(12)15/h4-6,10-11,16H,7-9H2,1-3H3.
What are the key properties of 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol?
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol has a molecular weight of 240.32 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol is sourced from PubChem (CID 113453955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).