2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol

C23H32O2 — CID 22004994

IUPAC2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol
SMILESCCCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccccc1O
InChIInChI=1S/C23H32O2/c1-7-10-17-19(14(2)3)13-20(15(4)5)22(16(6)24)23(17)18-11-8-9-12-21(18)25/h8-9,11-16,24-25H,7,10H2,1-6H3
InChIKeyXKJASAPQHBHQOY-UHFFFAOYSA-N
MW340.51 g/mol
LogP6.31
Rot. Bonds6

About 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol

2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol (PubChem CID 22004994) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol.

Molecular Properties

Compound Name2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol
PubChem CID22004994
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol
SMILESCCCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccccc1O
InChIInChI=1S/C23H32O2/c1-7-10-17-19(14(2)3)13-20(15(4)5)22(16(6)24)23(17)18-11-8-9-12-21(18)25/h8-9,11-16,24-25H,7,10H2,1-6H3
InChIKeyXKJASAPQHBHQOY-UHFFFAOYSA-N
XLogP6.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.51
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol
CID 22005018
2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol
CID 22005139
1-[3-ethyl-2-phenyl-4,6-di(propan-2-yl)phenyl]ethanol
CID 22005163
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
CID 22005326
2-[1-(2,3-dipropylphenyl)propan-2-yl]phenol
CID 67252187
2-[3-ethyl-5-(1-hydroxyethyl)-2,6-di(propan-2-yl)-4-pyridinyl]-5-fluorophenol
CID 135819157
4-methyl-3-propan-2-yl-2-propylphenol
CID 143280508
2-(6-amino-5-propan-2-ylpyridazin-3-yl)phenol
CID 137029503
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
2-(4-fluoro-2-phenylmethoxyphenyl)-4,6-di(propan-2-yl)-3-propylbenzaldehyde
CID 22004925
3-phenyl-4,5-di(propan-2-yl)benzene-1,2-diol
CID 88710522
2,4-diphenyl-1,3,5-tri(propan-2-yl)benzene
CID 158905708

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol?
The IUPAC name of 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol (CID 22004994) is 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol.
What is the SMILES notation for 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol?
The canonical SMILES for 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol is CCCc1c(C(C)C)cc(C(C)C)c(C(C)O)c1-c1ccccc1O.
What is the InChIKey of 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol?
The InChIKey is XKJASAPQHBHQOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-7-10-17-19(14(2)3)13-20(15(4)5)22(16(6)24)23(17)18-11-8-9-12-21(18)25/h8-9,11-16,24-25H,7,10H2,1-6H3.
What are the key properties of 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol?
2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol has a molecular weight of 340.51 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol is sourced from PubChem (CID 22004994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).