2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol

C16H22ClFO — CID 102619664

IUPAC2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H22ClFO/c1-2-3-11-4-7-16(19)13(8-11)9-12-10-14(18)5-6-15(12)17/h5-6,10-11,13,16,19H,2-4,7-9H2,1H3
InChIKeyVUPASRRIKSRVMX-UHFFFAOYSA-N
MW284.80 g/mol
LogP4.60
Rot. Bonds4

About 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol

2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol (PubChem CID 102619664) has the molecular formula C16H22ClFO and a molecular weight of 284.80 g/mol. Its IUPAC name is 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol
PubChem CID102619664
Molecular FormulaC16H22ClFO
Molecular Weight284.80 g/mol
Exact Mass284.13
IUPAC Name2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol
SMILESCCCC1CCC(O)C(Cc2cc(F)ccc2Cl)C1
InChIInChI=1S/C16H22ClFO/c1-2-3-11-4-7-16(19)13(8-11)9-12-10-14(18)5-6-15(12)17/h5-6,10-11,13,16,19H,2-4,7-9H2,1H3
InChIKeyVUPASRRIKSRVMX-UHFFFAOYSA-N
XLogP4.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-bromo-5-fluorophenyl)methyl]-4-ethylcyclohexan-1-ol
CID 63460147
2-bromo-1-[(2-bromo-5-propylcyclohexyl)methyl]-4-fluorobenzene
CID 63470892
2-[(2-bromo-5-methylcyclohexyl)methyl]-1-chloro-4-fluorobenzene
CID 102619694
2-[(4-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63488559
4-chloro-1-[(2-chloro-5-propylcyclohexyl)methyl]-2-fluorobenzene
CID 114857916
2-[(3-fluoro-N-methylanilino)methyl]-4-propylcyclohexan-1-ol
CID 63489444
N-[[2-[(2-chloro-5-fluorophenyl)methyl]cyclopentyl]methyl]propan-1-amine
CID 102621837
1-chloro-2-[(2-chlorocyclopentyl)methyl]-4-fluorobenzene
CID 102619676
2-[(2-chloro-5-fluorophenyl)methyl]cyclohexan-1-amine
CID 102616731
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 63461626
2-[(3-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 55193585
2-[(2-chloro-5-fluorophenyl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 102616757

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol?
The IUPAC name of 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol (CID 102619664) is 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol.
What is the SMILES notation for 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol?
The canonical SMILES for 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol is CCCC1CCC(O)C(Cc2cc(F)ccc2Cl)C1.
What is the InChIKey of 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol?
The InChIKey is VUPASRRIKSRVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFO/c1-2-3-11-4-7-16(19)13(8-11)9-12-10-14(18)5-6-15(12)17/h5-6,10-11,13,16,19H,2-4,7-9H2,1H3.
What are the key properties of 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol?
2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol has a molecular weight of 284.80 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5-fluorophenyl)methyl]-4-propylcyclohexan-1-ol is sourced from PubChem (CID 102619664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).