5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran

C30H39FO — CID 118359296

IUPAC5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)=CO4)c(F)c3)cc2)CC1
InChIInChI=1S/C30H39FO/c1-3-5-6-7-23-8-11-24(12-9-23)25-13-15-26(16-14-25)27-17-18-28(29(31)20-27)30-19-10-22(4-2)21-32-30/h13-18,20-21,23-24,30H,3-12,19H2,1-2H3
InChIKeyKHSKTBQOLOYGTB-UHFFFAOYSA-N
MW434.64 g/mol
LogP9.49
Rot. Bonds8

About 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran

5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran (PubChem CID 118359296) has the molecular formula C30H39FO and a molecular weight of 434.64 g/mol. Its IUPAC name is 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran
PubChem CID118359296
Molecular FormulaC30H39FO
Molecular Weight434.64 g/mol
Exact Mass434.30
IUPAC Name5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)=CO4)c(F)c3)cc2)CC1
InChIInChI=1S/C30H39FO/c1-3-5-6-7-23-8-11-24(12-9-23)25-13-15-26(16-14-25)27-17-18-28(29(31)20-27)30-19-10-22(4-2)21-32-30/h13-18,20-21,23-24,30H,3-12,19H2,1-2H3
InChIKeyKHSKTBQOLOYGTB-UHFFFAOYSA-N
XLogP9.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.64
LogP ≤ 59.49
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

1-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]ethanone
CID 142331736
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243
1,2,3-trifluoro-5-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]benzene
CID 20596680
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
CID 162030737
CID 162030737
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl] thiocyanate
CID 174157015
1-bromo-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15135338
1-ethyl-4-[4-[4-(4-pentylcyclohexyl)phenyl]phenyl]benzene
CID 20654382

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran?
The IUPAC name of 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran (CID 118359296) is 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran is CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)=CO4)c(F)c3)cc2)CC1.
What is the InChIKey of 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran?
The InChIKey is KHSKTBQOLOYGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FO/c1-3-5-6-7-23-8-11-24(12-9-23)25-13-15-26(16-14-25)27-17-18-28(29(31)20-27)30-19-10-22(4-2)21-32-30/h13-18,20-21,23-24,30H,3-12,19H2,1-2H3.
What are the key properties of 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran?
5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran has a molecular weight of 434.64 g/mol, XLogP of 9.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 118359296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).