4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene

C23H29FO — CID 173349754

IUPAC4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
SMILESCCCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F
InChIInChI=1S/C23H29FO/c1-2-3-7-16-25-23-15-14-21(17-22(23)24)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h10-15,17-18H,2-9,16H2,1H3
InChIKeySXJSPLWVEVXKTM-UHFFFAOYSA-N
MW340.48 g/mol
LogP7.11
Rot. Bonds7

About 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene

4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene (PubChem CID 173349754) has the molecular formula C23H29FO and a molecular weight of 340.48 g/mol. Its IUPAC name is 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene.

Molecular Properties

Compound Name4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
PubChem CID173349754
Molecular FormulaC23H29FO
Molecular Weight340.48 g/mol
Exact Mass340.22
IUPAC Name4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
SMILESCCCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F
InChIInChI=1S/C23H29FO/c1-2-3-7-16-25-23-15-14-21(17-22(23)24)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h10-15,17-18H,2-9,16H2,1H3
InChIKeySXJSPLWVEVXKTM-UHFFFAOYSA-N
XLogP7.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.48
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
CID 173349723
4-(4-cyclohexylphenyl)-2-fluoro-1-propoxybenzene
CID 18960186
5-(4-cyclohexylphenyl)-2-pentoxybenzonitrile
CID 173349800
1-butoxy-4-(4-cyclohexylphenyl)-2,3-difluorobenzene
CID 173349643
5-(4-cyclohexylphenyl)-2-octoxypyrimidine
CID 54380230
4-(4-ethylcyclohexyl)-2-fluoro-1-octoxybenzene
CID 57265159
1-dodecoxy-2-fluoro-4-(4-propylcyclohexyl)benzene
CID 57028175
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
1-cyclohexyl-4-heptoxybenzene
CID 56628106
2-fluoro-4-(3-fluoro-4-propoxyphenyl)-1-propoxybenzene
CID 19799924
1-butoxy-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 23391143

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene?
The IUPAC name of 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene (CID 173349754) is 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene.
What is the SMILES notation for 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene?
The canonical SMILES for 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene is CCCCCOc1ccc(-c2ccc(C3CCCCC3)cc2)cc1F.
What is the InChIKey of 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene?
The InChIKey is SXJSPLWVEVXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FO/c1-2-3-7-16-25-23-15-14-21(17-22(23)24)20-12-10-19(11-13-20)18-8-5-4-6-9-18/h10-15,17-18H,2-9,16H2,1H3.
What are the key properties of 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene?
4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene has a molecular weight of 340.48 g/mol, XLogP of 7.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene is sourced from PubChem (CID 173349754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).