4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol

C16H24ClFO — CID 114865539

IUPAC4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(Cc1cccc(F)c1Cl)CC(C)C
InChIInChI=1S/C16H24ClFO/c1-11(2)8-16(19,9-12(3)4)10-13-6-5-7-14(18)15(13)17/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyQOODNZGWDHRBFR-UHFFFAOYSA-N
MW286.82 g/mol
LogP4.84
Rot. Bonds6

About 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol

4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol (PubChem CID 114865539) has the molecular formula C16H24ClFO and a molecular weight of 286.82 g/mol. Its IUPAC name is 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
PubChem CID114865539
Molecular FormulaC16H24ClFO
Molecular Weight286.82 g/mol
Exact Mass286.15
IUPAC Name4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(Cc1cccc(F)c1Cl)CC(C)C
InChIInChI=1S/C16H24ClFO/c1-11(2)8-16(19,9-12(3)4)10-13-6-5-7-14(18)15(13)17/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyQOODNZGWDHRBFR-UHFFFAOYSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.82
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 112654949
4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114931192
1-(2-chloro-3-fluorophenyl)-2-methyl-3-(2-methylpropylamino)propan-2-ol
CID 112654826
1-(2-chloro-3-fluorophenyl)-2-(4-chlorophenyl)propan-2-ol
CID 112652946
1-(2-chloro-3-fluorophenyl)-2-phenylpropan-2-ol
CID 112652939
3-[(2-chloro-3-fluorophenyl)methyl]-2-methylpentan-3-amine
CID 112653213
1-(2-chloro-3-fluorophenyl)-2-cyclopropylpropan-2-ol
CID 112652956
1-(2-chloro-3-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 112652973
2-(4-bromophenyl)-1-(2-chloro-3-fluorophenyl)propan-2-ol
CID 112652949
4-(2-chloro-3-fluorophenyl)-3-hydroxy-3-methylbutanal
CID 112653106
1-(2-chloro-3-fluorophenyl)-3-methoxybutan-2-ol
CID 112653497
1-(2-chloro-3-fluorophenyl)-2-(3-chlorophenyl)propan-2-ol
CID 112652947

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol (CID 114865539) is 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol is CC(C)CC(O)(Cc1cccc(F)c1Cl)CC(C)C.
What is the InChIKey of 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The InChIKey is QOODNZGWDHRBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFO/c1-11(2)8-16(19,9-12(3)4)10-13-6-5-7-14(18)15(13)17/h5-7,11-12,19H,8-10H2,1-4H3.
What are the key properties of 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol has a molecular weight of 286.82 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).