1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene

C26H26O — CID 69118835

IUPAC1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
SMILESCC(COCC(C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H26O/c1-19(23-15-7-11-21-9-3-5-13-25(21)23)17-27-18-20(2)24-16-8-12-22-10-4-6-14-26(22)24/h3-16,19-20H,17-18H2,1-2H3
InChIKeyWQMNHHRBDOACME-UHFFFAOYSA-N
MW354.49 g/mol
LogP6.92
Rot. Bonds6

About 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene

1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene (PubChem CID 69118835) has the molecular formula C26H26O and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene.

Molecular Properties

Compound Name1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
PubChem CID69118835
Molecular FormulaC26H26O
Molecular Weight354.49 g/mol
Exact Mass354.20
IUPAC Name1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene
SMILESCC(COCC(C)c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C26H26O/c1-19(23-15-7-11-21-9-3-5-13-25(21)23)17-27-18-20(2)24-16-8-12-22-10-4-6-14-26(22)24/h3-16,19-20H,17-18H2,1-2H3
InChIKeyWQMNHHRBDOACME-UHFFFAOYSA-N
XLogP6.92
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 ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 64720152
(4S)-4-naphthalen-1-ylpentanal
CID 10774914
1-[(2R)-butan-2-yl]naphthalene;pentane
CID 142150914
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
difluoro(2-naphthalen-1-ylpropyl)silane
CID 137328904
N-methoxy-N-methyl-2-naphthalen-1-ylpropan-1-amine
CID 56988460
1-(2-methyl-1-naphthalen-1-ylpropyl)naphthalene
CID 174755343
CID 174906138
CID 174906138
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
1-[1-[2-(2,3-dimethylphenyl)propoxy]propan-2-yl]-2,3-dimethylbenzene
CID 139620265
3-naphthalen-1-ylbutanoic acid
CID 43211329
2-(2-methylpentoxy)-1-naphthalen-1-ylethanol
CID 103284745

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene?
The IUPAC name of 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene (CID 69118835) is 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene.
What is the SMILES notation for 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene?
The canonical SMILES for 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene is CC(COCC(C)c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene?
The InChIKey is WQMNHHRBDOACME-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O/c1-19(23-15-7-11-21-9-3-5-13-25(21)23)17-27-18-20(2)24-16-8-12-22-10-4-6-14-26(22)24/h3-16,19-20H,17-18H2,1-2H3.
What are the key properties of 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene?
1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene has a molecular weight of 354.49 g/mol, XLogP of 6.92, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-naphthalen-1-ylpropoxy)propan-2-yl]naphthalene is sourced from PubChem (CID 69118835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).