2-[2-(2-decylphenyl)butan-2-yl]phenol

C26H38O — CID 67178533

IUPAC2-[2-(2-decylphenyl)butan-2-yl]phenol
SMILESCCCCCCCCCCc1ccccc1C(C)(CC)c1ccccc1O
InChIInChI=1S/C26H38O/c1-4-6-7-8-9-10-11-12-17-22-18-13-14-19-23(22)26(3,5-2)24-20-15-16-21-25(24)27/h13-16,18-21,27H,4-12,17H2,1-3H3
InChIKeyVTEBUMFEDPUMRN-UHFFFAOYSA-N
MW366.59 g/mol
LogP7.79
Rot. Bonds12

About 2-[2-(2-decylphenyl)butan-2-yl]phenol

2-[2-(2-decylphenyl)butan-2-yl]phenol (PubChem CID 67178533) has the molecular formula C26H38O and a molecular weight of 366.59 g/mol. Its IUPAC name is 2-[2-(2-decylphenyl)butan-2-yl]phenol.

Molecular Properties

Compound Name2-[2-(2-decylphenyl)butan-2-yl]phenol
PubChem CID67178533
Molecular FormulaC26H38O
Molecular Weight366.59 g/mol
Exact Mass366.29
IUPAC Name2-[2-(2-decylphenyl)butan-2-yl]phenol
SMILESCCCCCCCCCCc1ccccc1C(C)(CC)c1ccccc1O
InChIInChI=1S/C26H38O/c1-4-6-7-8-9-10-11-12-17-22-18-13-14-19-23(22)26(3,5-2)24-20-15-16-21-25(24)27/h13-16,18-21,27H,4-12,17H2,1-3H3
InChIKeyVTEBUMFEDPUMRN-UHFFFAOYSA-N
XLogP7.79
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.59
LogP ≤ 57.79
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-dibutylphenyl)butan-2-yl]phenol
CID 67180305
1-(2-bromopropan-2-yl)-2-undecylbenzene
CID 166519006
1-(2-bromopropan-2-yl)-2-tetradecylbenzene
CID 141042240
2-[2-(2-hydroxyphenyl)octan-2-yl]phenol
CID 22402788
3-decyl-4-[2-(2-decyl-4-hydroxyphenyl)butan-2-yl]phenol
CID 163939589
2-[2-(2,3-dihexylphenyl)propan-2-yl]phenol
CID 66866652
2-[2-[2-(2-decylphenyl)phenyl]propan-2-yl]phenol
CID 66867497
2-dodecylphenol
CID 160834917
1-(3-chloropentan-3-yl)-2-tetradecylbenzene
CID 172561947
1-(2-chloropropan-2-yl)-2-dodecylbenzene
CID 22556238
CID 158595082
CID 158595082
2-octylphenol;tungsten
CID 157237523

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-decylphenyl)butan-2-yl]phenol?
The IUPAC name of 2-[2-(2-decylphenyl)butan-2-yl]phenol (CID 67178533) is 2-[2-(2-decylphenyl)butan-2-yl]phenol.
What is the SMILES notation for 2-[2-(2-decylphenyl)butan-2-yl]phenol?
The canonical SMILES for 2-[2-(2-decylphenyl)butan-2-yl]phenol is CCCCCCCCCCc1ccccc1C(C)(CC)c1ccccc1O.
What is the InChIKey of 2-[2-(2-decylphenyl)butan-2-yl]phenol?
The InChIKey is VTEBUMFEDPUMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38O/c1-4-6-7-8-9-10-11-12-17-22-18-13-14-19-23(22)26(3,5-2)24-20-15-16-21-25(24)27/h13-16,18-21,27H,4-12,17H2,1-3H3.
What are the key properties of 2-[2-(2-decylphenyl)butan-2-yl]phenol?
2-[2-(2-decylphenyl)butan-2-yl]phenol has a molecular weight of 366.59 g/mol, XLogP of 7.79, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-decylphenyl)butan-2-yl]phenol is sourced from PubChem (CID 67178533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).