2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol

C23H32O2 — CID 22005018

IUPAC2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol
SMILESCCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1O
InChIInChI=1S/C23H32O2/c1-6-7-10-17-19(15(2)3)13-20(16(4)5)21(14-24)23(17)18-11-8-9-12-22(18)25/h8-9,11-13,15-16,24-25H,6-7,10,14H2,1-5H3
InChIKeyHMUKSMDZJHETDO-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.14
Rot. Bonds7

About 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol

2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol (PubChem CID 22005018) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol
PubChem CID22005018
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol
SMILESCCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1O
InChIInChI=1S/C23H32O2/c1-6-7-10-17-19(15(2)3)13-20(16(4)5)21(14-24)23(17)18-11-8-9-12-22(18)25/h8-9,11-13,15-16,24-25H,6-7,10,14H2,1-5H3
InChIKeyHMUKSMDZJHETDO-UHFFFAOYSA-N
XLogP6.14
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol
CID 22005139
2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol
CID 22004994
[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol
CID 22005025
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
CID 22005326
1,2-dibutyl-3-propan-2-ylnaphthalene
CID 154241338
[3-ethyl-2-(4-methylphenyl)-4,6-di(propan-2-yl)phenyl]methanol
CID 22005230
4-butyl-5-methyl-2-phenyl-3-propan-2-ylphenol
CID 150437166
[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 54328042
2,5-dibutyl-3-phenylphenol
CID 122215941
2-(2-heptyl-4-propan-2-ylphenyl)phenol
CID 152650240
1-methyl-2-pentyl-3-propan-2-ylbenzene
CID 173336481
2-(3-butyl-4-phenylphenyl)phenol
CID 174552804

Frequently Asked Questions

What is the IUPAC name of 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol?
The IUPAC name of 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol (CID 22005018) is 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol.
What is the SMILES notation for 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol?
The canonical SMILES for 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol is CCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1O.
What is the InChIKey of 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol?
The InChIKey is HMUKSMDZJHETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-6-7-10-17-19(15(2)3)13-20(16(4)5)21(14-24)23(17)18-11-8-9-12-22(18)25/h8-9,11-13,15-16,24-25H,6-7,10,14H2,1-5H3.
What are the key properties of 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol?
2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol has a molecular weight of 340.51 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol is sourced from PubChem (CID 22005018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).