4-tert-butylbenzene-1,2-diol;phenol

C16H20O3 — CID 160621546

IUPAC4-tert-butylbenzene-1,2-diol;phenol
SMILESCC(C)(C)c1ccc(O)c(O)c1.Oc1ccccc1
InChIInChI=1S/C10H14O2.C6H6O/c1-10(2,3)7-4-5-8(11)9(12)6-7;7-6-4-2-1-3-5-6/h4-6,11-12H,1-3H3;1-5,7H
InChIKeyRGTOGUMWFZTIGG-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.79
Rot. Bonds

About 4-tert-butylbenzene-1,2-diol;phenol

4-tert-butylbenzene-1,2-diol;phenol (PubChem CID 160621546) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 4-tert-butylbenzene-1,2-diol;phenol.

Molecular Properties

Compound Name4-tert-butylbenzene-1,2-diol;phenol
PubChem CID160621546
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name4-tert-butylbenzene-1,2-diol;phenol
SMILESCC(C)(C)c1ccc(O)c(O)c1.Oc1ccccc1
InChIInChI=1S/C10H14O2.C6H6O/c1-10(2,3)7-4-5-8(11)9(12)6-7;7-6-4-2-1-3-5-6/h4-6,11-12H,1-3H3;1-5,7H
InChIKeyRGTOGUMWFZTIGG-UHFFFAOYSA-N
XLogP3.79
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(3,4-dihydroxyphenyl)-diphenylmethyl]benzene-1,2-diol
CID 59253853
4-[2-[3,5-bis[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;phenol
CID 160835894
azanium;4-tert-butylbenzene-1,2-diol;oxido(dioxo)vanadium
CID 87380509
benzene-1,3-diol;4-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 19086682
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
2-amino-4-tert-butylphenol;hydrochloride
CID 71441759
(5-tert-butyl-2-hydroxyphenyl)-phenylmethanone
CID 517837
4-tert-butyl-2-[5-tert-butyl-3-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]-2-hydroxyphenyl]-6-[5-tert-butyl-3-[5-tert-butyl-3-(5-tert-butyl-2-hydroxyphenyl)-2-hydroxyphenyl]-2-hydroxyphenyl]phenol
CID 10351338
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
4-tert-butyl-2-[(2-hydroxyphenyl)diazenyl]phenol
CID 135787806
ethane;phenol
CID 161156308
4-[(1,2,3,4,5,6-13C6)cyclohexatrienyl-(4-hydroxyphenyl)-phenylmethyl]phenol
CID 171380903

Frequently Asked Questions

What is the IUPAC name of 4-tert-butylbenzene-1,2-diol;phenol?
The IUPAC name of 4-tert-butylbenzene-1,2-diol;phenol (CID 160621546) is 4-tert-butylbenzene-1,2-diol;phenol.
What is the SMILES notation for 4-tert-butylbenzene-1,2-diol;phenol?
The canonical SMILES for 4-tert-butylbenzene-1,2-diol;phenol is CC(C)(C)c1ccc(O)c(O)c1.Oc1ccccc1.
What is the InChIKey of 4-tert-butylbenzene-1,2-diol;phenol?
The InChIKey is RGTOGUMWFZTIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2.C6H6O/c1-10(2,3)7-4-5-8(11)9(12)6-7;7-6-4-2-1-3-5-6/h4-6,11-12H,1-3H3;1-5,7H.
What are the key properties of 4-tert-butylbenzene-1,2-diol;phenol?
4-tert-butylbenzene-1,2-diol;phenol has a molecular weight of 260.33 g/mol, XLogP of 3.79, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylbenzene-1,2-diol;phenol is sourced from PubChem (CID 160621546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).