2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol

C15H23FO — CID 66057578

IUPAC2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol
SMILESCCCC(C)CC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FO/c1-3-4-12(2)9-14(11-17)10-13-5-7-15(16)8-6-13/h5-8,12,14,17H,3-4,9-11H2,1-2H3
InChIKeyAQCPMMIJOQBMGR-UHFFFAOYSA-N
MW238.35 g/mol
LogP3.80
Rot. Bonds7

About 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol

2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol (PubChem CID 66057578) has the molecular formula C15H23FO and a molecular weight of 238.35 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol
PubChem CID66057578
Molecular FormulaC15H23FO
Molecular Weight238.35 g/mol
Exact Mass238.17
IUPAC Name2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol
SMILESCCCC(C)CC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C15H23FO/c1-3-4-12(2)9-14(11-17)10-13-5-7-15(16)8-6-13/h5-8,12,14,17H,3-4,9-11H2,1-2H3
InChIKeyAQCPMMIJOQBMGR-UHFFFAOYSA-N
XLogP3.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2R,4R)-2,4-dimethylheptyl]propane-1,3-diol
CID 10655741
(2S)-2-[(4-fluorophenyl)methyl]hexane-1,6-diol
CID 172914267
2-[(4-bromophenyl)methyl]-4-methylheptan-1-amine
CID 63497937
2-[(4-fluorophenyl)methyl]-5-methoxypentan-1-ol
CID 66060322
2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
N-ethyl-4-methyl-2-[(4-methylphenyl)methyl]heptan-1-amine
CID 63522236
1-(4-fluorophenyl)-4-methylheptan-2-one
CID 62622075
2-[1-(4-fluorophenyl)propan-2-ylamino]pentanoic acid
CID 83041949
1-(4-fluorophenyl)-2,4-dimethylheptan-2-ol
CID 114833191
2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
CID 105410776
2-[(3-chloro-4-fluorophenyl)methyl]pentan-1-ol
CID 103041973
4-methyl-2-[(4-methylphenyl)methyl]heptanoic acid
CID 63401940

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol (CID 66057578) is 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol is CCCC(C)CC(CO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol?
The InChIKey is AQCPMMIJOQBMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO/c1-3-4-12(2)9-14(11-17)10-13-5-7-15(16)8-6-13/h5-8,12,14,17H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol?
2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol has a molecular weight of 238.35 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-methylheptan-1-ol is sourced from PubChem (CID 66057578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).