[3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol

C18H18O8 — CID 140957767

IUPAC[3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol
SMILESOCOc1cc2cc3cc(OCO)c(OCO)cc3cc2cc1OCO
InChIInChI=1S/C18H18O8/c19-7-23-15-3-11-1-12-4-16(24-8-20)18(26-10-22)6-14(12)2-13(11)5-17(15)25-9-21/h1-6,19-22H,7-10H2
InChIKeyMZIJWSXQRGSYLD-UHFFFAOYSA-N
MW362.33 g/mol
LogP1.31
Rot. Bonds8

About [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol

[3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol (PubChem CID 140957767) has the molecular formula C18H18O8 and a molecular weight of 362.33 g/mol. Its IUPAC name is [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol.

Molecular Properties

Compound Name[3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol
PubChem CID140957767
Molecular FormulaC18H18O8
Molecular Weight362.33 g/mol
Exact Mass362.10
IUPAC Name[3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol
SMILESOCOc1cc2cc3cc(OCO)c(OCO)cc3cc2cc1OCO
InChIInChI=1S/C18H18O8/c19-7-23-15-3-11-1-12-4-16(24-8-20)18(26-10-22)6-14(12)2-13(11)5-17(15)25-9-21/h1-6,19-22H,7-10H2
InChIKeyMZIJWSXQRGSYLD-UHFFFAOYSA-N
XLogP1.31
TPSA117.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 51.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

[3,4-bis(hydroxymethoxy)phenyl]methanol
CID 156779963
2,3,6,7-tetrapropoxyanthracene
CID 102343273
[4-(hydroxymethoxy)thiophen-3-yl]oxymethanol
CID 169051998
anthracen-9-yloxymethanol
CID 177108126
benzene;naphthalen-1-yloxymethanol
CID 70447137
(2,5-dimethylphenoxy)methanol;ethane
CID 143103425
pentadecacyclo[27.25.1.12,28.04,53.06,51.08,49.010,47.012,45.014,43.016,41.018,39.020,37.022,35.024,33.026,31]hexapentaconta-1(55),2(56),3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53-octacosaene
CID 135009478
3-[3-[3-[3-[3-[3-(3-hydroxypropoxy)naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxypropoxy]naphthalen-2-yl]oxypropan-1-ol
CID 139777486
(2-aminophenoxy)methanol
CID 22976615
(3-fluoro-4-methoxyphenoxy)methanol
CID 89257829
2-ethoxy-1-[7-[3,6,7-tris[7-(2-ethoxy-1-hydroxyethoxy)heptoxy]anthracen-2-yl]oxyheptoxy]ethanol
CID 142738394
(4-methoxyphenoxy)methanol
CID 20580272

Frequently Asked Questions

What is the IUPAC name of [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol?
The IUPAC name of [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol (CID 140957767) is [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol.
What is the SMILES notation for [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol?
The canonical SMILES for [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol is OCOc1cc2cc3cc(OCO)c(OCO)cc3cc2cc1OCO.
What is the InChIKey of [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol?
The InChIKey is MZIJWSXQRGSYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O8/c19-7-23-15-3-11-1-12-4-16(24-8-20)18(26-10-22)6-14(12)2-13(11)5-17(15)25-9-21/h1-6,19-22H,7-10H2.
What are the key properties of [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol?
[3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol has a molecular weight of 362.33 g/mol, XLogP of 1.31, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6,7-tris(hydroxymethoxy)anthracen-2-yl]oxymethanol is sourced from PubChem (CID 140957767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).