1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene

C28H34 — CID 164713773

IUPAC1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
SMILESCc1ccc(C(C)CC(CC(C)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H34/c1-20-6-12-25(13-7-20)23(4)18-28(27-16-10-22(3)11-17-27)19-24(5)26-14-8-21(2)9-15-26/h6-17,23-24,28H,18-19H2,1-5H3
InChIKeyOWWDKESIGJJIMN-UHFFFAOYSA-N
MW370.58 g/mol
LogP8.08
Rot. Bonds7

About 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene

1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene (PubChem CID 164713773) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene.

Molecular Properties

Compound Name1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
PubChem CID164713773
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
SMILESCc1ccc(C(C)CC(CC(C)c2ccc(C)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C28H34/c1-20-6-12-25(13-7-20)23(4)18-28(27-16-10-22(3)11-17-27)19-24(5)26-14-8-21(2)9-15-26/h6-17,23-24,28H,18-19H2,1-5H3
InChIKeyOWWDKESIGJJIMN-UHFFFAOYSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 58.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
1-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
(1R,5S)-1,3,5-tris(4-methylphenyl)pentane-1,5-diol
CID 139087432
4-[(2S,4R)-4-(4-methylphenyl)pentan-2-yl]benzonitrile
CID 71129166
(6-methyl-4-phenylheptan-2-yl)benzene
CID 174190180
1-butan-2-yl-4-[5-(4-pentan-3-ylphenyl)hexan-3-yl]benzene
CID 54004386
4-[4,6,8-tris(4-aminophenyl)decan-2-yl]aniline
CID 134463641
2-(4-methylphenyl)octane-4,5-diol
CID 83930905
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
1-butan-2-yl-4-methylbenzene;molecular hydrogen;propane
CID 144517328
N,N-dimethyl-2-(4-methylphenyl)propan-1-amine
CID 143373779
4-[6-[4-[dimethyl(trimethylsilyl)silyl]phenyl]-2-(4-methylphenyl)octan-4-yl]phenol;methane;4-[2-(4-methylphenyl)-6-(4-trimethylsilylphenyl)octan-4-yl]phenol
CID 159821524

Frequently Asked Questions

What is the IUPAC name of 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene?
The IUPAC name of 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene (CID 164713773) is 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene.
What is the SMILES notation for 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene?
The canonical SMILES for 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene is Cc1ccc(C(C)CC(CC(C)c2ccc(C)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene?
The InChIKey is OWWDKESIGJJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-20-6-12-25(13-7-20)23(4)18-28(27-16-10-22(3)11-17-27)19-24(5)26-14-8-21(2)9-15-26/h6-17,23-24,28H,18-19H2,1-5H3.
What are the key properties of 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene?
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene has a molecular weight of 370.58 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene is sourced from PubChem (CID 164713773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).