8-pentoxy-3-phenyl-1,2-dihydronaphthalene

C21H24O — CID 155712236

IUPAC8-pentoxy-3-phenyl-1,2-dihydronaphthalene
SMILESCCCCCOc1cccc2c1CCC(c1ccccc1)=C2
InChIInChI=1S/C21H24O/c1-2-3-7-15-22-21-12-8-11-19-16-18(13-14-20(19)21)17-9-5-4-6-10-17/h4-6,8-12,16H,2-3,7,13-15H2,1H3
InChIKeyJSFXUHWHYUJLAT-UHFFFAOYSA-N
MW292.42 g/mol
LogP5.74
Rot. Bonds6

About 8-pentoxy-3-phenyl-1,2-dihydronaphthalene

8-pentoxy-3-phenyl-1,2-dihydronaphthalene (PubChem CID 155712236) has the molecular formula C21H24O and a molecular weight of 292.42 g/mol. Its IUPAC name is 8-pentoxy-3-phenyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name8-pentoxy-3-phenyl-1,2-dihydronaphthalene
PubChem CID155712236
Molecular FormulaC21H24O
Molecular Weight292.42 g/mol
Exact Mass292.18
IUPAC Name8-pentoxy-3-phenyl-1,2-dihydronaphthalene
SMILESCCCCCOc1cccc2c1CCC(c1ccccc1)=C2
InChIInChI=1S/C21H24O/c1-2-3-7-15-22-21-12-8-11-19-16-18(13-14-20(19)21)17-9-5-4-6-10-17/h4-6,8-12,16H,2-3,7,13-15H2,1H3
InChIKeyJSFXUHWHYUJLAT-UHFFFAOYSA-N
XLogP5.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.42
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[[6-(4-phenylphenyl)-7,8-dihydronaphthalen-1-yl]oxy]pentan-1-ol
CID 155221987
2-(3-bromopropoxy)oxane;8-pentoxy-3-phenyl-1,2-dihydronaphthalene
CID 155712235
methoxy-[methoxy-methyl-[5-[(6-phenyl-7,8-dihydronaphthalen-1-yl)oxy]pentyl]silyl]oxy-methyl-[5-[(6-phenyl-7,8-dihydronaphthalen-1-yl)oxy]pentyl]silane
CID 167404813
1-pentoxy-2-(4-phenylphenyl)benzene
CID 173284868
6-[(6-phenyl-8,9-dihydro-7H-benzo[7]annulen-1-yl)oxy]hexyl 2,3-diamino-2-methylpropanoate
CID 155222045
1-octadecoxy-2-phenylbenzene
CID 70983974
1-ethoxy-3-hexoxy-2-phenylbenzene
CID 141138385
1-heptoxy-2,3-diphenylbenzene
CID 91223664
1-pentoxy-4-phenylbenzene
CID 7021155
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
2-methyl-1-octoxy-4-phenylbenzene
CID 23393452
1,2,3-tridodecoxybenzene
CID 11308140

Frequently Asked Questions

What is the IUPAC name of 8-pentoxy-3-phenyl-1,2-dihydronaphthalene?
The IUPAC name of 8-pentoxy-3-phenyl-1,2-dihydronaphthalene (CID 155712236) is 8-pentoxy-3-phenyl-1,2-dihydronaphthalene.
What is the SMILES notation for 8-pentoxy-3-phenyl-1,2-dihydronaphthalene?
The canonical SMILES for 8-pentoxy-3-phenyl-1,2-dihydronaphthalene is CCCCCOc1cccc2c1CCC(c1ccccc1)=C2.
What is the InChIKey of 8-pentoxy-3-phenyl-1,2-dihydronaphthalene?
The InChIKey is JSFXUHWHYUJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O/c1-2-3-7-15-22-21-12-8-11-19-16-18(13-14-20(19)21)17-9-5-4-6-10-17/h4-6,8-12,16H,2-3,7,13-15H2,1H3.
What are the key properties of 8-pentoxy-3-phenyl-1,2-dihydronaphthalene?
8-pentoxy-3-phenyl-1,2-dihydronaphthalene has a molecular weight of 292.42 g/mol, XLogP of 5.74, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-pentoxy-3-phenyl-1,2-dihydronaphthalene is sourced from PubChem (CID 155712236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).