2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol

C18H30O2 — CID 22146399

IUPAC2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
SMILESCCCC(C)(C)c1c(O)ccc(O)c1C(C)(C)CCC
InChIInChI=1S/C18H30O2/c1-7-11-17(3,4)15-13(19)9-10-14(20)16(15)18(5,6)12-8-2/h9-10,19-20H,7-8,11-12H2,1-6H3
InChIKeySUBOADIIPNHLEJ-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.25
Rot. Bonds6

About 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol

2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol (PubChem CID 22146399) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol.

Molecular Properties

Compound Name2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
PubChem CID22146399
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
SMILESCCCC(C)(C)c1c(O)ccc(O)c1C(C)(C)CCC
InChIInChI=1S/C18H30O2/c1-7-11-17(3,4)15-13(19)9-10-14(20)16(15)18(5,6)12-8-2/h9-10,19-20H,7-8,11-12H2,1-6H3
InChIKeySUBOADIIPNHLEJ-UHFFFAOYSA-N
XLogP5.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-2-(2-methylpentan-2-yl)phenol
CID 118028317
4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
methyl 5-[3,6-dihydroxy-2-(6-methoxy-2-methyl-6-oxohexan-2-yl)phenyl]-5-methylhexanoate
CID 87411500
2-fluoro-5-(2-methylpentan-2-yl)thiophene
CID 146378512
2-methoxy-5-(2-methylpentan-2-yl)phenol
CID 23093288
2-hydroxy-6-(2-methylpentan-2-yl)benzoic acid
CID 163862555
2,3-ditert-butyl-4-ethylphenol
CID 18994457
2-ethyl-6-(2-methylpentan-2-yl)phenol
CID 154203714
4-[2-(4-hydroxynaphthalen-1-yl)pentan-2-yl]naphthalen-1-ol
CID 54384901
4-tert-butyl-2-[(5-tert-butyl-2-hydroxyphenyl)-propylphosphanyl]phenol
CID 23082347
9-(2-methylheptan-2-yl)-2-oxabicyclo[3.3.1]nona-1(9),5,7-trien-6-ol
CID 67725409

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol?
The IUPAC name of 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol (CID 22146399) is 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol.
What is the SMILES notation for 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol?
The canonical SMILES for 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol is CCCC(C)(C)c1c(O)ccc(O)c1C(C)(C)CCC.
What is the InChIKey of 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol?
The InChIKey is SUBOADIIPNHLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-7-11-17(3,4)15-13(19)9-10-14(20)16(15)18(5,6)12-8-2/h9-10,19-20H,7-8,11-12H2,1-6H3.
What are the key properties of 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol?
2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol has a molecular weight of 278.44 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol is sourced from PubChem (CID 22146399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).