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

C24H34O2 — CID 22005139

IUPAC2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol
SMILESCCCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1O
InChIInChI=1S/C24H34O2/c1-6-7-8-11-18-20(16(2)3)14-21(17(4)5)22(15-25)24(18)19-12-9-10-13-23(19)26/h9-10,12-14,16-17,25-26H,6-8,11,15H2,1-5H3
InChIKeyMWVCACJLNJUMHL-UHFFFAOYSA-N
MW354.53 g/mol
LogP6.53
Rot. Bonds8

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

2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol (PubChem CID 22005139) has the molecular formula C24H34O2 and a molecular weight of 354.53 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol
PubChem CID22005139
Molecular FormulaC24H34O2
Molecular Weight354.53 g/mol
Exact Mass354.26
IUPAC Name2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol
SMILESCCCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1O
InChIInChI=1S/C24H34O2/c1-6-7-8-11-18-20(16(2)3)14-21(17(4)5)22(15-25)24(18)19-12-9-10-13-23(19)26/h9-10,12-14,16-17,25-26H,6-8,11,15H2,1-5H3
InChIKeyMWVCACJLNJUMHL-UHFFFAOYSA-N
XLogP6.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.53
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-butyl-6-(hydroxymethyl)-3,5-di(propan-2-yl)phenyl]phenol
CID 22005018
2-[2-(1-hydroxyethyl)-3,5-di(propan-2-yl)-6-propylphenyl]phenol
CID 22004994
[2-phenyl-4,6-di(propan-2-yl)-3-propylphenyl]methanol
CID 22005326
[3-butyl-2-(4-fluorophenyl)-4,6-di(propan-2-yl)phenyl]methanol
CID 22005025
[4-[2-(2-fluoropentan-3-yl)phenyl]-5-pentyl-2,6-di(propan-2-yl)-3-pyridinyl]methanol
CID 54328042
2-(2-heptyl-4-propan-2-ylphenyl)phenol
CID 152650240
2-pentylbenzene-1,3-diol
CID 15007741
2-(2-pentylphenyl)phenol
CID 66866892
4-hexyl-2-propan-2-ylphenol
CID 154277952
2-hexyl-4-phenylbenzene-1,3-diol
CID 23109189
1-methyl-2-pentyl-3-propan-2-ylbenzene
CID 173336481
4-hexyl-2-(2-hydroxyphenyl)phenol
CID 139699928

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol?
The IUPAC name of 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol (CID 22005139) is 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol is CCCCCc1c(C(C)C)cc(C(C)C)c(CO)c1-c1ccccc1O.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol?
The InChIKey is MWVCACJLNJUMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2/c1-6-7-8-11-18-20(16(2)3)14-21(17(4)5)22(15-25)24(18)19-12-9-10-13-23(19)26/h9-10,12-14,16-17,25-26H,6-8,11,15H2,1-5H3.
What are the key properties of 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol?
2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol has a molecular weight of 354.53 g/mol, XLogP of 6.53, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-pentyl-3,5-di(propan-2-yl)phenyl]phenol is sourced from PubChem (CID 22005139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).