1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene

C26H26O — CID 57075140

IUPAC1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
SMILESCCC(OC(CC)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H26O/c1-3-25(23-17-9-13-19-11-5-7-15-21(19)23)27-26(4-2)24-18-10-14-20-12-6-8-16-22(20)24/h5-18,25-26H,3-4H2,1-2H3
InChIKeyCPDIYLOOXYAFPC-UHFFFAOYSA-N
MW354.49 g/mol
LogP7.61
Rot. Bonds6

About 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene

1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene (PubChem CID 57075140) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene.

Molecular Properties

Compound Name1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
PubChem CID57075140
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene
SMILESCCC(OC(CC)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H26O/c1-3-25(23-17-9-13-19-11-5-7-15-21(19)23)27-26(4-2)24-18-10-14-20-12-6-8-16-22(20)24/h5-18,25-26H,3-4H2,1-2H3
InChIKeyCPDIYLOOXYAFPC-UHFFFAOYSA-N
XLogP7.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-naphthalen-1-ylpropan-1-ol
CID 10877844
2-ethoxy-N-methyl-2-naphthalen-1-ylethanamine
CID 53276223
(1R)-2-methyl-1-naphthalen-1-ylbutan-1-amine;hydrochloride
CID 171212055
butane;1-propan-2-ylnaphthalene
CID 157253186
(2S)-2-naphthalen-1-ylbutanenitrile
CID 132595059
1-(2-naphthalen-1-ylpentan-3-yl)naphthalene
CID 57238705
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747
3-methyl-N-(1-naphthalen-1-ylethyl)pentan-2-amine
CID 43101275
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
1-(3-chloropentan-2-yl)naphthalene
CID 79308301
(1S,2S)-1,2-dinaphthalen-1-ylethane-1,2-diol
CID 10470897
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene?
The IUPAC name of 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene (CID 57075140) is 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene.
What is the SMILES notation for 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene?
The canonical SMILES for 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene is CCC(OC(CC)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene?
The InChIKey is CPDIYLOOXYAFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-3-25(23-17-9-13-19-11-5-7-15-21(19)23)27-26(4-2)24-18-10-14-20-12-6-8-16-22(20)24/h5-18,25-26H,3-4H2,1-2H3.
What are the key properties of 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene?
1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene has a molecular weight of 354.49 g/mol, XLogP of 7.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-naphthalen-1-ylpropoxy)propyl]naphthalene is sourced from PubChem (CID 57075140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).