1-(3-naphthalen-2-ylbutyl)naphthalene

C24H22 — CID 173247348

IUPAC1-(3-naphthalen-2-ylbutyl)naphthalene
SMILESCC(CCc1cccc2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C24H22/c1-18(22-16-15-19-7-2-3-9-23(19)17-22)13-14-21-11-6-10-20-8-4-5-12-24(20)21/h2-12,15-18H,13-14H2,1H3
InChIKeySWWYQLONRBVVOK-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.73
Rot. Bonds4

About 1-(3-naphthalen-2-ylbutyl)naphthalene

1-(3-naphthalen-2-ylbutyl)naphthalene (PubChem CID 173247348) has the molecular formula C24H22 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(3-naphthalen-2-ylbutyl)naphthalene.

Molecular Properties

Compound Name1-(3-naphthalen-2-ylbutyl)naphthalene
PubChem CID173247348
Molecular FormulaC24H22
Molecular Weight310.44 g/mol
Exact Mass310.17
IUPAC Name1-(3-naphthalen-2-ylbutyl)naphthalene
SMILESCC(CCc1cccc2ccccc12)c1ccc2ccccc2c1
InChIInChI=1S/C24H22/c1-18(22-16-15-19-7-2-3-9-23(19)17-22)13-14-21-11-6-10-20-8-4-5-12-24(20)21/h2-12,15-18H,13-14H2,1H3
InChIKeySWWYQLONRBVVOK-UHFFFAOYSA-N
XLogP6.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-4-naphthalen-1-ylbutan-2-amine
CID 93315345
2-(4-chloropentan-2-yl)naphthalene
CID 64719465
1-(3-chloropentyl)naphthalene
CID 63460195
4-methyl-1-naphthalen-1-ylpentan-3-amine
CID 43370560
(1S)-1-[[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-naphthalen-2-ylpropan-2-yl]amino]-3-naphthalen-1-ylpropane-1-sulfonic acid
CID 91151621
1-(3-chlorohexyl)naphthalene
CID 63461105
1-(3,3-dichloropropyl)naphthalene
CID 54458566
N-methyl-2-naphthalen-2-ylpropan-1-amine
CID 19847434
ethane;2-propan-2-ylnaphthalene
CID 142226111
N-methyl-N-(2-naphthalen-1-ylethyl)propan-2-amine
CID 117044251
1-naphthalen-1-ylpentan-3-ol
CID 2793924
3-naphthalen-1-yl-1-phenylpropan-1-amine
CID 43370421

Frequently Asked Questions

What is the IUPAC name of 1-(3-naphthalen-2-ylbutyl)naphthalene?
The IUPAC name of 1-(3-naphthalen-2-ylbutyl)naphthalene (CID 173247348) is 1-(3-naphthalen-2-ylbutyl)naphthalene.
What is the SMILES notation for 1-(3-naphthalen-2-ylbutyl)naphthalene?
The canonical SMILES for 1-(3-naphthalen-2-ylbutyl)naphthalene is CC(CCc1cccc2ccccc12)c1ccc2ccccc2c1.
What is the InChIKey of 1-(3-naphthalen-2-ylbutyl)naphthalene?
The InChIKey is SWWYQLONRBVVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22/c1-18(22-16-15-19-7-2-3-9-23(19)17-22)13-14-21-11-6-10-20-8-4-5-12-24(20)21/h2-12,15-18H,13-14H2,1H3.
What are the key properties of 1-(3-naphthalen-2-ylbutyl)naphthalene?
1-(3-naphthalen-2-ylbutyl)naphthalene has a molecular weight of 310.44 g/mol, XLogP of 6.73, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-naphthalen-2-ylbutyl)naphthalene is sourced from PubChem (CID 173247348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).