6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene

C27H29FO — CID 139849818

IUPAC6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
SMILESCC=CCCOc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1F)C2
InChIInChI=1S/C27H29FO/c1-3-5-6-15-29-24-12-10-20-17-23(9-8-21(20)18-24)26-14-11-22-16-19(4-2)7-13-25(22)27(26)28/h3,5,7,10-14,16,18,23H,4,6,8-9,15,17H2,1-2H3
InChIKeyJMNZNCUITVNNOF-UHFFFAOYSA-N
MW388.53 g/mol
LogP7.16
Rot. Bonds6

About 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene

6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene (PubChem CID 139849818) has the molecular formula C27H29FO and a molecular weight of 388.53 g/mol. Its IUPAC name is 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene.

Molecular Properties

Compound Name6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
PubChem CID139849818
Molecular FormulaC27H29FO
Molecular Weight388.53 g/mol
Exact Mass388.22
IUPAC Name6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
SMILESCC=CCCOc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1F)C2
InChIInChI=1S/C27H29FO/c1-3-5-6-15-29-24-12-10-20-17-23(9-8-21(20)18-24)26-14-11-22-16-19(4-2)7-13-25(22)27(26)28/h3,5,7,10-14,16,18,23H,4,6,8-9,15,17H2,1-2H3
InChIKeyJMNZNCUITVNNOF-UHFFFAOYSA-N
XLogP7.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(6-but-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6-butyl-1-fluoronaphthalene
CID 139849672
1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
CID 139848807
2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848315
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
2-(4-butylphenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848040
2-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849045
2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139848861
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848902
2-(4-ethylphenyl)-6-pent-4-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139849417
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139860894

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene?
The IUPAC name of 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene (CID 139849818) is 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene.
What is the SMILES notation for 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene?
The canonical SMILES for 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene is CC=CCCOc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1F)C2.
What is the InChIKey of 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene?
The InChIKey is JMNZNCUITVNNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FO/c1-3-5-6-15-29-24-12-10-20-17-23(9-8-21(20)18-24)26-14-11-22-16-19(4-2)7-13-25(22)27(26)28/h3,5,7,10-14,16,18,23H,4,6,8-9,15,17H2,1-2H3.
What are the key properties of 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene?
6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene has a molecular weight of 388.53 g/mol, XLogP of 7.16, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene is sourced from PubChem (CID 139849818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).