1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene

C22H30 — CID 58836420

IUPAC1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
SMILESCCC(CCC(C)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H30/c1-5-19(22-9-7-6-8-10-22)12-11-18(4)21-15-13-20(14-16-21)17(2)3/h6-10,13-19H,5,11-12H2,1-4H3
InChIKeyYOWKRIFTFRLICM-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.89
Rot. Bonds7

About 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene

1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene (PubChem CID 58836420) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
PubChem CID58836420
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene
SMILESCCC(CCC(C)c1ccc(C(C)C)cc1)c1ccccc1
InChIInChI=1S/C22H30/c1-5-19(22-9-7-6-8-10-22)12-11-18(4)21-15-13-20(14-16-21)17(2)3/h6-10,13-19H,5,11-12H2,1-4H3
InChIKeyYOWKRIFTFRLICM-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-N-[4-[5-(4-benzhydrylphenyl)heptan-2-yl]phenyl]-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 58782689
ethane;(1-ethyl-5-phenylhexyl)benzene
CID 154659485
(1-ethyl-9-phenyldecyl)benzene
CID 154659486
4,7-diphenyloctan-2-ylbenzene
CID 21184937
5-phenylheptan-2-amine
CID 83936540
1-heptan-3-yl-4-propan-2-ylbenzene
CID 58413560
pentan-2-ylbenzene
CID 17627
1-butan-2-yl-4-(5,7-diphenylnonan-2-yl)benzene;2-[ethyl(2-hydroxyethyl)amino]ethanol
CID 91264545
1-butan-2-yl-4-(4,6-diphenyloctan-2-yl)benzene
CID 23386381
4-[4-(N-(4-hexan-3-ylphenyl)anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71125003
1-(3,7-diphenylnonan-5-yl)-4-[7-phenyl-1-(2-phenylbutyl)-5-[4-(3-phenylbutyl)phenyl]-3-[4-(2,4,8,10-tetraphenyldodecan-6-yl)phenyl]octyl]benzene
CID 59289101
[(Z)-1-ethyl-7-phenyloct-3-enyl]benzene
CID 58843288

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene?
The IUPAC name of 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene (CID 58836420) is 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene.
What is the SMILES notation for 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene?
The canonical SMILES for 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene is CCC(CCC(C)c1ccc(C(C)C)cc1)c1ccccc1.
What is the InChIKey of 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene?
The InChIKey is YOWKRIFTFRLICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-5-19(22-9-7-6-8-10-22)12-11-18(4)21-15-13-20(14-16-21)17(2)3/h6-10,13-19H,5,11-12H2,1-4H3.
What are the key properties of 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene?
1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene has a molecular weight of 294.48 g/mol, XLogP of 6.89, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylheptan-2-yl)-4-propan-2-ylbenzene is sourced from PubChem (CID 58836420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).