2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane

C26H32O2 — CID 155222318

IUPAC2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane
SMILESC1=C(c2ccccc2)CCc2ccc(CCCCCOC3CCCCO3)cc21
InChIInChI=1S/C26H32O2/c1-4-10-22(11-5-1)24-16-15-23-14-13-21(19-25(23)20-24)9-3-2-7-17-27-26-12-6-8-18-28-26/h1,4-5,10-11,13-14,19-20,26H,2-3,6-9,12,15-18H2
InChIKeyVVTVTRVRCXKTEX-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.43
Rot. Bonds8

About 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane

2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane (PubChem CID 155222318) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane.

Molecular Properties

Compound Name2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane
PubChem CID155222318
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Name2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane
SMILESC1=C(c2ccccc2)CCc2ccc(CCCCCOC3CCCCO3)cc21
InChIInChI=1S/C26H32O2/c1-4-10-22(11-5-1)24-16-15-23-14-13-21(19-25(23)20-24)9-3-2-7-17-27-26-12-6-8-18-28-26/h1,4-5,10-11,13-14,19-20,26H,2-3,6-9,12,15-18H2
InChIKeyVVTVTRVRCXKTEX-UHFFFAOYSA-N
XLogP6.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-[11-[4-(4-phenylphenyl)phenyl]undecoxy]oxane
CID 86055226
5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentyl 2,3-diaminopropanoate
CID 155222274
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
2-(3-bromopropoxy)oxane;8-pentoxy-3-phenyl-1,2-dihydronaphthalene
CID 155712235
4-[6-[(2R)-oxan-2-yl]oxyhexyl]pyridine
CID 129363635
4-[6-[(2S)-oxan-2-yl]oxyhexyl]pyridine
CID 129363636
2-[3-[4-(trifluoromethyl)phenyl]propoxy]oxane
CID 118808170
CID 71106654
CID 71106654
2-(10-thiophen-2-yldecoxy)oxane
CID 71403514
2-[5-(furan-2-yl)pentoxy]oxane
CID 102163402
8-(oxan-2-yloxy)octyl benzoate
CID 11551737
7-(oxan-2-yloxy)-1-phenylheptan-3-one
CID 14472634

Frequently Asked Questions

What is the IUPAC name of 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane?
The IUPAC name of 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane (CID 155222318) is 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane.
What is the SMILES notation for 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane?
The canonical SMILES for 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane is C1=C(c2ccccc2)CCc2ccc(CCCCCOC3CCCCO3)cc21.
What is the InChIKey of 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane?
The InChIKey is VVTVTRVRCXKTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O2/c1-4-10-22(11-5-1)24-16-15-23-14-13-21(19-25(23)20-24)9-3-2-7-17-27-26-12-6-8-18-28-26/h1,4-5,10-11,13-14,19-20,26H,2-3,6-9,12,15-18H2.
What are the key properties of 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane?
2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane has a molecular weight of 376.54 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(7-phenyl-5,6-dihydronaphthalen-2-yl)pentoxy]oxane is sourced from PubChem (CID 155222318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).