1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol

C14H21FO — CID 64514428

IUPAC1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
SMILESCc1cc(CCC(O)C(C)(C)C)ccc1F
InChIInChI=1S/C14H21FO/c1-10-9-11(5-7-12(10)15)6-8-13(16)14(2,3)4/h5,7,9,13,16H,6,8H2,1-4H3
InChIKeyUUYXOIQGNUMIHM-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol

1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol (PubChem CID 64514428) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol.

Molecular Properties

Compound Name1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
PubChem CID64514428
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol
SMILESCc1cc(CCC(O)C(C)(C)C)ccc1F
InChIInChI=1S/C14H21FO/c1-10-9-11(5-7-12(10)15)6-8-13(16)14(2,3)4/h5,7,9,13,16H,6,8H2,1-4H3
InChIKeyUUYXOIQGNUMIHM-UHFFFAOYSA-N
XLogP3.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

1-(4-fluoro-3-methylphenyl)-4-methylpentan-3-ol
CID 64515839
4-(4-fluoro-3-methylphenyl)butan-2-ol
CID 64516741
1-(4-fluoro-3-methylphenyl)pentan-3-ol
CID 64515114
(2S)-2-fluoro-4-(4-fluoro-3-methylphenyl)butan-1-amine
CID 90212776
1-(5-chloro-2-fluorophenyl)-4,4-dimethylpentan-3-ol
CID 103049445
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
(3R)-4,4-dimethyl-1-phenylpentan-3-ol
CID 53244616
1-(2,4-difluorophenyl)-4,4-dimethylpentan-3-ol
CID 62197542
4-amino-1-(4-fluoro-3-methylphenyl)butan-2-ol
CID 82398888
3-N-[2-(4-fluoro-3-methylphenyl)ethyl]-3-methylbutane-1,3-diamine
CID 115134906
5-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propan-2-ylpentan-1-amine
CID 79734919
1-fluoro-2-methyl-4-(2-methylpentyl)benzene
CID 143267587

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol?
The IUPAC name of 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol (CID 64514428) is 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol.
What is the SMILES notation for 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol?
The canonical SMILES for 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol is Cc1cc(CCC(O)C(C)(C)C)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol?
The InChIKey is UUYXOIQGNUMIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-10-9-11(5-7-12(10)15)6-8-13(16)14(2,3)4/h5,7,9,13,16H,6,8H2,1-4H3.
What are the key properties of 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol?
1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol has a molecular weight of 224.32 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methylphenyl)-4,4-dimethylpentan-3-ol is sourced from PubChem (CID 64514428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).