5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol

C14H21FO — CID 114349443

IUPAC5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol
SMILESCc1cc(F)ccc1CC(C)(C)CC(C)O
InChIInChI=1S/C14H21FO/c1-10-7-13(15)6-5-12(10)9-14(3,4)8-11(2)16/h5-7,11,16H,8-9H2,1-4H3
InChIKeyMNNDTCXNCRVJJH-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.47
Rot. Bonds4

About 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol

5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol (PubChem CID 114349443) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol
PubChem CID114349443
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol
SMILESCc1cc(F)ccc1CC(C)(C)CC(C)O
InChIInChI=1S/C14H21FO/c1-10-7-13(15)6-5-12(10)9-14(3,4)8-11(2)16/h5-7,11,16H,8-9H2,1-4H3
InChIKeyMNNDTCXNCRVJJH-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-[(4-fluoro-2-methylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 111468002
1-(4-fluoro-2-methylphenyl)propan-2-ol
CID 91636360
4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865108
1-(4-fluoro-2-methylphenyl)-2-methylpropan-2-amine
CID 22063499
1-[2-(chloromethyl)-2,3-dimethylbutyl]-4-fluoro-2-methylbenzene
CID 114349945
1-amino-3-(4-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 114346991
3-(4-fluoro-2-methylphenyl)-2,2-dimethylpropanenitrile
CID 114349707
N'-(4-fluoro-2-methylphenyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxamide
CID 111490740
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
1-(4-bromo-2,2-dimethylpentyl)-2-chloro-4-fluorobenzene
CID 64717266
5-(2-bromo-4-fluorophenyl)-4,4-dimethylpentan-2-amine
CID 64716995
3-[(4-fluoro-2-methylphenyl)methyl]pentan-3-amine
CID 114347085

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol (CID 114349443) is 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol is Cc1cc(F)ccc1CC(C)(C)CC(C)O.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol?
The InChIKey is MNNDTCXNCRVJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-10-7-13(15)6-5-12(10)9-14(3,4)8-11(2)16/h5-7,11,16H,8-9H2,1-4H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol?
5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol has a molecular weight of 224.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 114349443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).