(2-tert-butyldibenzofuran-3-yl)methanetriol

C17H18O4 — CID 163858130

IUPAC(2-tert-butyldibenzofuran-3-yl)methanetriol
SMILESCC(C)(C)c1cc2c(cc1C(O)(O)O)oc1ccccc12
InChIInChI=1S/C17H18O4/c1-16(2,3)12-8-11-10-6-4-5-7-14(10)21-15(11)9-13(12)17(18,19)20/h4-9,18-20H,1-3H3
InChIKeyPADJNHYAYVHFOE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.97
Rot. Bonds1

About (2-tert-butyldibenzofuran-3-yl)methanetriol

(2-tert-butyldibenzofuran-3-yl)methanetriol (PubChem CID 163858130) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2-tert-butyldibenzofuran-3-yl)methanetriol.

Molecular Properties

Compound Name(2-tert-butyldibenzofuran-3-yl)methanetriol
PubChem CID163858130
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name(2-tert-butyldibenzofuran-3-yl)methanetriol
SMILESCC(C)(C)c1cc2c(cc1C(O)(O)O)oc1ccccc12
InChIInChI=1S/C17H18O4/c1-16(2,3)12-8-11-10-6-4-5-7-14(10)21-15(11)9-13(12)17(18,19)20/h4-9,18-20H,1-3H3
InChIKeyPADJNHYAYVHFOE-UHFFFAOYSA-N
XLogP2.97
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminodibenzofuran-2-yl)propan-2-ol
CID 170318792
10-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787377
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
9-tert-butylnaphtho[2,3-b][1]benzofuran
CID 164787408
7-tert-butyl-12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene
CID 118153211
1-tert-butyldibenzofuran
CID 59078665
3,8-ditert-butyl-1-N,1-N,6-N,6-N-tetra(dibenzofuran-2-yl)pyrene-1,6-diamine
CID 176881440
2-dibenzofuran-2-yl-2-hydroxypropanoic acid
CID 163411383
dibenzofuran;hydrate
CID 70610865
dibenzofuran;hydrofluoride
CID 158307405
2-tert-butyl-N-(4-dibenzofuran-3-ylphenyl)-4-phenyl-N-(4-phenylphenyl)aniline
CID 176781189
dibenzofuran;ethanol
CID 174821059

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyldibenzofuran-3-yl)methanetriol?
The IUPAC name of (2-tert-butyldibenzofuran-3-yl)methanetriol (CID 163858130) is (2-tert-butyldibenzofuran-3-yl)methanetriol.
What is the SMILES notation for (2-tert-butyldibenzofuran-3-yl)methanetriol?
The canonical SMILES for (2-tert-butyldibenzofuran-3-yl)methanetriol is CC(C)(C)c1cc2c(cc1C(O)(O)O)oc1ccccc12.
What is the InChIKey of (2-tert-butyldibenzofuran-3-yl)methanetriol?
The InChIKey is PADJNHYAYVHFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-16(2,3)12-8-11-10-6-4-5-7-14(10)21-15(11)9-13(12)17(18,19)20/h4-9,18-20H,1-3H3.
What are the key properties of (2-tert-butyldibenzofuran-3-yl)methanetriol?
(2-tert-butyldibenzofuran-3-yl)methanetriol has a molecular weight of 286.33 g/mol, XLogP of 2.97, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyldibenzofuran-3-yl)methanetriol is sourced from PubChem (CID 163858130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).