4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol

C29H30O — CID 173221736

IUPAC4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(CC(C2=CCCC=C2)c2ccccc2)cc1
InChIInChI=1S/C29H30O/c1-29(2,26-17-19-27(30)20-18-26)25-15-13-22(14-16-25)21-28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3,5-7,9-20,28,30H,4,8,21H2,1-2H3
InChIKeyILWIRNWMUHTHRR-UHFFFAOYSA-N
MW394.56 g/mol
LogP7.32
Rot. Bonds6

About 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol

4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol (PubChem CID 173221736) has the molecular formula C29H30O and a molecular weight of 394.56 g/mol. Its IUPAC name is 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol
PubChem CID173221736
Molecular FormulaC29H30O
Molecular Weight394.56 g/mol
Exact Mass394.23
IUPAC Name4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol
SMILESCC(C)(c1ccc(O)cc1)c1ccc(CC(C2=CCCC=C2)c2ccccc2)cc1
InChIInChI=1S/C29H30O/c1-29(2,26-17-19-27(30)20-18-26)25-15-13-22(14-16-25)21-28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3,5-7,9-20,28,30H,4,8,21H2,1-2H3
InChIKeyILWIRNWMUHTHRR-UHFFFAOYSA-N
XLogP7.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.56
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol with MolForge

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Related Compounds

1-cyclohexa-1,5-dien-1-ylpropylbenzene;ethane
CID 156726896
N-(4-cyclohexa-1,5-dien-1-yl-4-phenylbut-1-en-2-yl)-2-methylbutan-2-amine
CID 165399029
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
biphenylene;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
CID 68577534
4-[2-(4-hydroxyphenyl)-2-[4-[3-(4-hydroxyphenyl)-3-methylbutan-2-yl]phenyl]ethyl]phenol
CID 172743360
4-[2-[4-[2-(4-hydroxyphenyl)(1,3-13C2)propan-2-yl]phenyl](1,3-13C2)propan-2-yl]phenol
CID 139024042
4-[4-(4-hydroxyphenyl)-2,4-diphenylbutyl]phenol
CID 168874199
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;bis(2-methylpropane)
CID 143736977
disodium bisphenol-A
CID 66941220
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;silver
CID 118588949

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol?
The IUPAC name of 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol (CID 173221736) is 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol?
The canonical SMILES for 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol is CC(C)(c1ccc(O)cc1)c1ccc(CC(C2=CCCC=C2)c2ccccc2)cc1.
What is the InChIKey of 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol?
The InChIKey is ILWIRNWMUHTHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30O/c1-29(2,26-17-19-27(30)20-18-26)25-15-13-22(14-16-25)21-28(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3,5-7,9-20,28,30H,4,8,21H2,1-2H3.
What are the key properties of 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol?
4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol has a molecular weight of 394.56 g/mol, XLogP of 7.32, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-cyclohexa-1,5-dien-1-yl-2-phenylethyl)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 173221736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).