2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol

C31H40O — CID 66867497

IUPAC2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol
SMILESCCCCCCCCCCc1ccccc1-c1ccccc1C(C)(C)c1ccccc1O
InChIInChI=1S/C31H40O/c1-4-5-6-7-8-9-10-11-18-25-19-12-13-20-26(25)27-21-14-15-22-28(27)31(2,3)29-23-16-17-24-30(29)32/h12-17,19-24,32H,4-11,18H2,1-3H3
InChIKeyZPLJWDGLORYXCK-UHFFFAOYSA-N
MW428.66 g/mol
LogP9.07
Rot. Bonds12

About 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol

2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol (PubChem CID 66867497) has the molecular formula C31H40O and a molecular weight of 428.66 g/mol. Its IUPAC name is 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol
PubChem CID66867497
Molecular FormulaC31H40O
Molecular Weight428.66 g/mol
Exact Mass428.31
IUPAC Name2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol
SMILESCCCCCCCCCCc1ccccc1-c1ccccc1C(C)(C)c1ccccc1O
InChIInChI=1S/C31H40O/c1-4-5-6-7-8-9-10-11-18-25-19-12-13-20-26(25)27-21-14-15-22-28(27)31(2,3)29-23-16-17-24-30(29)32/h12-17,19-24,32H,4-11,18H2,1-3H3
InChIKeyZPLJWDGLORYXCK-UHFFFAOYSA-N
XLogP9.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.66
LogP ≤ 59.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol
CID 66866652
2-(2-pentylphenyl)phenol
CID 66866892
2-[2-(2-decylphenyl)butan-2-yl]phenol
CID 67178533
2-(2-dodecylphenyl)-3-nonylphenol
CID 174697962
2-dodecylphenol
CID 160834917
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523
CID 69025009
CID 69025009
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-(2-bromopropan-2-yl)-2-tetradecylbenzene
CID 141042240
lithium;2-dodecylphenol;hydride
CID 174657819
ethene;2-nonylphenol
CID 66616289

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol?
The IUPAC name of 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol (CID 66867497) is 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol.
What is the SMILES notation for 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol?
The canonical SMILES for 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol is CCCCCCCCCCc1ccccc1-c1ccccc1C(C)(C)c1ccccc1O.
What is the InChIKey of 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol?
The InChIKey is ZPLJWDGLORYXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40O/c1-4-5-6-7-8-9-10-11-18-25-19-12-13-20-26(25)27-21-14-15-22-28(27)31(2,3)29-23-16-17-24-30(29)32/h12-17,19-24,32H,4-11,18H2,1-3H3.
What are the key properties of 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol?
2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol has a molecular weight of 428.66 g/mol, XLogP of 9.07, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol is sourced from PubChem (CID 66867497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).