2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene

C21H18 — CID 172999052

IUPAC2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
SMILESCC1=Cc2c(cccc2-c2c(C)ccc3ccccc23)C1
InChIInChI=1S/C21H18/c1-14-12-17-7-5-9-19(20(17)13-14)21-15(2)10-11-16-6-3-4-8-18(16)21/h3-11,13H,12H2,1-2H3
InChIKeyBLESKTNBBDWZKR-UHFFFAOYSA-N
MW270.38 g/mol
LogP5.77
Rot. Bonds1

About 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene

2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene (PubChem CID 172999052) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene.

Molecular Properties

Compound Name2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
PubChem CID172999052
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Name2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene
SMILESCC1=Cc2c(cccc2-c2c(C)ccc3ccccc23)C1
InChIInChI=1S/C21H18/c1-14-12-17-7-5-9-19(20(17)13-14)21-15(2)10-11-16-6-3-4-8-18(16)21/h3-11,13H,12H2,1-2H3
InChIKeyBLESKTNBBDWZKR-UHFFFAOYSA-N
XLogP5.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1H-inden-4-yl)-2-methylnaphthalene
CID 57037744
2-methyl-1-(2-methylphenyl)naphthalene
CID 14204979
1-(2-ethyl-3H-inden-4-yl)-2-methylnaphthalene
CID 57131873
4-(2,3-dimethylphenyl)-2-methyl-1H-indene
CID 22259782
2-methyl-1-(2-phenylphenyl)naphthalene
CID 102027516
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
[2,6-bis(2-methylnaphthalen-1-yl)phenyl]-dichlorophosphane
CID 53236008
1,10-bis(2-methylnaphthalen-1-yl)anthracene
CID 123816307
4-(2,3-dimethylphenyl)-2,5-dimethyl-1H-indene
CID 87703570
4-[2,6-bis(trifluoromethyl)phenyl]-2-methyl-1H-indene
CID 141003705
1-[2-[2-(4-naphthalen-1-yl-1H-inden-2-yl)propan-2-yl]-1H-inden-4-yl]naphthalene
CID 18369872
2,5-dimethyl-4-phenyl-1H-indene
CID 173229793

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene?
The IUPAC name of 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene (CID 172999052) is 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene.
What is the SMILES notation for 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene?
The canonical SMILES for 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene is CC1=Cc2c(cccc2-c2c(C)ccc3ccccc23)C1.
What is the InChIKey of 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene?
The InChIKey is BLESKTNBBDWZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18/c1-14-12-17-7-5-9-19(20(17)13-14)21-15(2)10-11-16-6-3-4-8-18(16)21/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene?
2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene has a molecular weight of 270.38 g/mol, XLogP of 5.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methyl-1H-inden-4-yl)naphthalene is sourced from PubChem (CID 172999052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).