ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene

C41H64 — CID 159880007

IUPACethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene
SMILESC.CC.CC.CC.CC.CC(C)C(c1ccccc1)c1ccccc1.CC(C)Cc1ccccc1-c1ccccc1
InChIInChI=1S/2C16H18.4C2H6.CH4/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14;4*1-2;/h3-13,16H,1-2H3;3-11,13H,12H2,1-2H3;4*1-2H3;1H4
InChIKeyNTKDVEGHKGFPIH-UHFFFAOYSA-N
MW556.96 g/mol
LogP13.77
Rot. Bonds6

About ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene

ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene (PubChem CID 159880007) has the molecular formula C41H64 and a molecular weight of 556.96 g/mol. Its IUPAC name is ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene.

Molecular Properties

Compound Nameethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene
PubChem CID159880007
Molecular FormulaC41H64
Molecular Weight556.96 g/mol
Exact Mass556.50
IUPAC Nameethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene
SMILESC.CC.CC.CC.CC.CC(C)C(c1ccccc1)c1ccccc1.CC(C)Cc1ccccc1-c1ccccc1
InChIInChI=1S/2C16H18.4C2H6.CH4/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14;4*1-2;/h3-13,16H,1-2H3;3-11,13H,12H2,1-2H3;4*1-2H3;1H4
InChIKeyNTKDVEGHKGFPIH-UHFFFAOYSA-N
XLogP13.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.96
LogP ≤ 513.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
1-methoxy-3-[2-(2-methylpropyl)phenyl]benzene
CID 151214684
1-(2,2-dimethoxyethyl)-2-phenylbenzene
CID 174663950
3-[2-(2-methylpropyl)phenyl]thiophene
CID 58439651
(S)-[2-(2-methylpropyl)phenyl]-phenylmethanol
CID 125467044
1-(2-methylpropyl)-2,3-diphenylbenzene;trihydroxy(sulfanylidene)-λ5-phosphane
CID 161022172
1-(2-methylpropyl)-4,5-diphenylnaphthalene
CID 175424835
1-(2-phenylphenyl)propan-2-yl formate
CID 22558445
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
ethane;(2-phenylphenyl)methanamine
CID 142592948
ethane;bis(1-ethyl-2-phenylbenzene);propane
CID 145452261
3-(2-phenylphenyl)propane-1,2-diol
CID 154118569

Frequently Asked Questions

What is the IUPAC name of ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene?
The IUPAC name of ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene (CID 159880007) is ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene.
What is the SMILES notation for ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene?
The canonical SMILES for ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene is C.CC.CC.CC.CC.CC(C)C(c1ccccc1)c1ccccc1.CC(C)Cc1ccccc1-c1ccccc1.
What is the InChIKey of ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene?
The InChIKey is NTKDVEGHKGFPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H18.4C2H6.CH4/c1-13(2)16(14-9-5-3-6-10-14)15-11-7-4-8-12-15;1-13(2)12-15-10-6-7-11-16(15)14-8-4-3-5-9-14;4*1-2;/h3-13,16H,1-2H3;3-11,13H,12H2,1-2H3;4*1-2H3;1H4.
What are the key properties of ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene?
ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene has a molecular weight of 556.96 g/mol, XLogP of 13.77, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;(2-methyl-1-phenylpropyl)benzene;1-(2-methylpropyl)-2-phenylbenzene is sourced from PubChem (CID 159880007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).