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

C14H21FO — CID 114349814

IUPAC2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol
SMILESCc1cc(F)ccc1CC(CO)CC(C)C
InChIInChI=1S/C14H21FO/c1-10(2)6-12(9-16)8-13-4-5-14(15)7-11(13)3/h4-5,7,10,12,16H,6,8-9H2,1-3H3
InChIKeyZXZLBTKOFDGFIU-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.33
Rot. Bonds5

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

2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol (PubChem CID 114349814) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol
PubChem CID114349814
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol
SMILESCc1cc(F)ccc1CC(CO)CC(C)C
InChIInChI=1S/C14H21FO/c1-10(2)6-12(9-16)8-13-4-5-14(15)7-11(13)3/h4-5,7,10,12,16H,6,8-9H2,1-3H3
InChIKeyZXZLBTKOFDGFIU-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(chloromethyl)-4-methylpentyl]-4-fluoro-2-methylbenzene
CID 114349869
2-[(4-fluoro-2-methylphenyl)methyl]-3-(3-fluorophenyl)propan-1-ol
CID 114349827
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
CID 105410776
3-(4-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 114349840
2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentan-1-ol
CID 66059383
2-(aminomethyl)-3-(5-fluoro-2-methylphenyl)propan-1-ol
CID 105375163
2-[(4-fluoro-2-methylphenyl)methylamino]propan-1-ol
CID 62135072
5-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114349415
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
CID 113453955
1-(3-bromo-2-methylpropyl)-4-fluoro-2-methylbenzene
CID 64671392

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol?
The IUPAC name of 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol (CID 114349814) is 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol?
The canonical SMILES for 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol is Cc1cc(F)ccc1CC(CO)CC(C)C.
What is the InChIKey of 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol?
The InChIKey is ZXZLBTKOFDGFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-10(2)6-12(9-16)8-13-4-5-14(15)7-11(13)3/h4-5,7,10,12,16H,6,8-9H2,1-3H3.
What are the key properties of 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol?
2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol has a molecular weight of 224.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenyl)methyl]-4-methylpentan-1-ol is sourced from PubChem (CID 114349814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).