ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene

C53H64O3 — CID 160505976

IUPACethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
SMILESCC.CC.CC(C)c1ccc(-c2ccccc2)cc1.CCc1ccc(-c2ccc(CC)cc2)cc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C16H18.C15H16.3C6H6O.2C2H6/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;3*7-6-4-2-1-3-5-6;2*1-2/h5-12H,3-4H2,1-2H3;3-12H,1-2H3;3*1-5,7H;2*1-2H3
InChIKeyQSKGAVOCPJAVFW-UHFFFAOYSA-N
MW749.09 g/mol
LogP15.18
Rot. Bonds5

About ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene

ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene (PubChem CID 160505976) has the molecular formula C53H64O3 and a molecular weight of 749.09 g/mol. Its IUPAC name is ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
PubChem CID160505976
Molecular FormulaC53H64O3
Molecular Weight749.09 g/mol
Exact Mass748.49
IUPAC Nameethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene
SMILESCC.CC.CC(C)c1ccc(-c2ccccc2)cc1.CCc1ccc(-c2ccc(CC)cc2)cc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/C16H18.C15H16.3C6H6O.2C2H6/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;3*7-6-4-2-1-3-5-6;2*1-2/h5-12H,3-4H2,1-2H3;3-12H,1-2H3;3*1-5,7H;2*1-2H3
InChIKeyQSKGAVOCPJAVFW-UHFFFAOYSA-N
XLogP15.18
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.09
LogP ≤ 515.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
CID 74370
4,4'-(1-(4-(1-(4-Hydroxyphenyl)-1-methylethyl)phenyl)ethylidene)diphenol
CID 634278
1,1-Bis(3-cyclohexyl-4-hydroxyphenyl)cyclohexane
CID 21943953
Bisphenol P
CID 630355
4-(1-Adamantyl)phenol
CID 269933
Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis-
CID 82180
4-[(Z)-1,2-diphenylbut-1-enyl]phenol
CID 6366969
1,1-Bis(4-hydroxyphenyl)-2-phenylbut-1-ene
CID 63059
1,3,5-Tris(4-hydroxyphenyl)benzene
CID 348148
4,4',4''-Methylidynetrisphenol
CID 69047
2,4,6-Tris(1-phenylethyl)phenol
CID 86688
4-[1,1-Bis(4-hydroxyphenyl)but-1-en-2-yl]phenol
CID 10246180

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene?
The IUPAC name of ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene (CID 160505976) is ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene.
What is the SMILES notation for ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene?
The canonical SMILES for ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene is CC.CC.CC(C)c1ccc(-c2ccccc2)cc1.CCc1ccc(-c2ccc(CC)cc2)cc1.Oc1ccccc1.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene?
The InChIKey is QSKGAVOCPJAVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.C15H16.3C6H6O.2C2H6/c1-3-13-5-9-15(10-6-13)16-11-7-14(4-2)8-12-16;1-12(2)13-8-10-15(11-9-13)14-6-4-3-5-7-14;3*7-6-4-2-1-3-5-6;2*1-2/h5-12H,3-4H2,1-2H3;3-12H,1-2H3;3*1-5,7H;2*1-2H3.
What are the key properties of ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene?
ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene has a molecular weight of 749.09 g/mol, XLogP of 15.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(4-ethylphenyl)benzene;phenol;1-phenyl-4-propan-2-ylbenzene is sourced from PubChem (CID 160505976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).