2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene

C25H30 — CID 19927018

IUPAC2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene
SMILESCCC(C)c1ccccc1C(Cc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C25H30/c1-5-19(4)23-12-8-9-13-24(23)25(18(2)3)17-20-14-15-21-10-6-7-11-22(21)16-20/h6-16,18-19,25H,5,17H2,1-4H3
InChIKeyYKGOGCHGRQPOHT-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.34
Rot. Bonds6

About 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene

2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene (PubChem CID 19927018) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene.

Molecular Properties

Compound Name2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene
PubChem CID19927018
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene
SMILESCCC(C)c1ccccc1C(Cc1ccc2ccccc2c1)C(C)C
InChIInChI=1S/C25H30/c1-5-19(4)23-12-8-9-13-24(23)25(18(2)3)17-20-14-15-21-10-6-7-11-22(21)16-20/h6-16,18-19,25H,5,17H2,1-4H3
InChIKeyYKGOGCHGRQPOHT-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-3-naphthalen-2-ylpropane-1,1-diol
CID 20647932
2-(2-chlorobutyl)naphthalene
CID 21490588
2-(2-propan-2-ylpentyl)naphthalene
CID 173217624
2-bromobutane;2-(bromomethyl)naphthalene
CID 145476439
1-butan-2-yl-2-propan-2-ylbenzene;ethane
CID 143715642
3-methyl-2-(naphthalen-2-ylmethyl)butanenitrile
CID 116931777
1-anthracen-2-ylbutan-2-ol
CID 141488114
2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
2-(2-nitropropyl)naphthalene
CID 102503616
3-methyl-1-naphthalen-2-ylhexan-2-amine
CID 61080295
ethane;2-ethylnaphthalene
CID 90684887
1-[2-(1-naphthalen-2-ylpropan-2-ylamino)phenyl]ethanol
CID 129056725

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene?
The IUPAC name of 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene (CID 19927018) is 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene.
What is the SMILES notation for 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene?
The canonical SMILES for 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene is CCC(C)c1ccccc1C(Cc1ccc2ccccc2c1)C(C)C.
What is the InChIKey of 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene?
The InChIKey is YKGOGCHGRQPOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-5-19(4)23-12-8-9-13-24(23)25(18(2)3)17-20-14-15-21-10-6-7-11-22(21)16-20/h6-16,18-19,25H,5,17H2,1-4H3.
What are the key properties of 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene?
2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene has a molecular weight of 330.52 g/mol, XLogP of 7.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-butan-2-ylphenyl)-3-methylbutyl]naphthalene is sourced from PubChem (CID 19927018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).