ethane;phenol;1-phenyl-4-propan-2-ylbenzene

C29H34O2 — CID 159836751

IUPACethane;phenol;1-phenyl-4-propan-2-ylbenzene
SMILESCC.CC(C)c1ccc(-c2ccccc2)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C15H16.2C6H6O.C2H6/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;2*7-6-4-2-1-3-5-6;1-2/h3-12H,1-2H3;2*1-5,7H;1-2H3
InChIKeyNOEBMHADMOOIFF-UHFFFAOYSA-N
MW414.59 g/mol
LogP8.29
Rot. Bonds2

About ethane;phenol;1-phenyl-4-propan-2-ylbenzene

ethane;phenol;1-phenyl-4-propan-2-ylbenzene (PubChem CID 159836751) has the molecular formula C29H34O2 and a molecular weight of 414.59 g/mol. Its IUPAC name is ethane;phenol;1-phenyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;phenol;1-phenyl-4-propan-2-ylbenzene
PubChem CID159836751
Molecular FormulaC29H34O2
Molecular Weight414.59 g/mol
Exact Mass414.26
IUPAC Nameethane;phenol;1-phenyl-4-propan-2-ylbenzene
SMILESCC.CC(C)c1ccc(-c2ccccc2)cc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C15H16.2C6H6O.C2H6/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;2*7-6-4-2-1-3-5-6;1-2/h3-12H,1-2H3;2*1-5,7H;1-2H3
InChIKeyNOEBMHADMOOIFF-UHFFFAOYSA-N
XLogP8.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 58.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
CID 160505976
ethane;molecular hydrogen;1-phenyl-4-propan-2-ylbenzene;propane
CID 142053065
cumene;1,4-diethylbenzene;1-ethyl-4-(4-ethylphenyl)benzene;methane;phenol
CID 159077925
benzene;1,1'-biphenyl;phenol
CID 159528072
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
bis(1,1'-biphenyl);ethane;phenol;propane
CID 159973913
methane;4-propan-2-ylphenol
CID 159328733
1,1'-biphenyl;naphthalene;phenol
CID 159002551
cumene;hydrogen peroxide
CID 21225480
cumene;ethane
CID 54306132
ethane;phenol
CID 161156308
bis(tert-butylbenzene);cumene;phenol
CID 161465137

Frequently Asked Questions

What is the IUPAC name of ethane;phenol;1-phenyl-4-propan-2-ylbenzene?
The IUPAC name of ethane;phenol;1-phenyl-4-propan-2-ylbenzene (CID 159836751) is ethane;phenol;1-phenyl-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;phenol;1-phenyl-4-propan-2-ylbenzene?
The canonical SMILES for ethane;phenol;1-phenyl-4-propan-2-ylbenzene is CC.CC(C)c1ccc(-c2ccccc2)cc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of ethane;phenol;1-phenyl-4-propan-2-ylbenzene?
The InChIKey is NOEBMHADMOOIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16.2C6H6O.C2H6/c1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;2*7-6-4-2-1-3-5-6;1-2/h3-12H,1-2H3;2*1-5,7H;1-2H3.
What are the key properties of ethane;phenol;1-phenyl-4-propan-2-ylbenzene?
ethane;phenol;1-phenyl-4-propan-2-ylbenzene has a molecular weight of 414.59 g/mol, XLogP of 8.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenol;1-phenyl-4-propan-2-ylbenzene is sourced from PubChem (CID 159836751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).