(E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol

C23H26O5 — CID 23642399

IUPAC(E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol
SMILESC/C=C/C(O)c1c(C)cc2c(OC)c3cccc(OC)c3c(OC)c2c1OC
InChIInChI=1S/C23H26O5/c1-7-9-16(24)18-13(2)12-15-20(22(18)27-5)23(28-6)19-14(21(15)26-4)10-8-11-17(19)25-3/h7-12,16,24H,1-6H3/b9-7+
InChIKeySPSDFAWZRJHYKJ-VQHVLOKHSA-N
MW382.46 g/mol
LogP4.95
Rot. Bonds6

About (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol

(E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol (PubChem CID 23642399) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol
PubChem CID23642399
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name(E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol
SMILESC/C=C/C(O)c1c(C)cc2c(OC)c3cccc(OC)c3c(OC)c2c1OC
InChIInChI=1S/C23H26O5/c1-7-9-16(24)18-13(2)12-15-20(22(18)27-5)23(28-6)19-14(21(15)26-4)10-8-11-17(19)25-3/h7-12,16,24H,1-6H3/b9-7+
InChIKeySPSDFAWZRJHYKJ-VQHVLOKHSA-N
XLogP4.95
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol?
The IUPAC name of (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol (CID 23642399) is (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol?
The canonical SMILES for (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol is C/C=C/C(O)c1c(C)cc2c(OC)c3cccc(OC)c3c(OC)c2c1OC.
What is the InChIKey of (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol?
The InChIKey is SPSDFAWZRJHYKJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H26O5/c1-7-9-16(24)18-13(2)12-15-20(22(18)27-5)23(28-6)19-14(21(15)26-4)10-8-11-17(19)25-3/h7-12,16,24H,1-6H3/b9-7+.
What are the key properties of (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol?
(E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol has a molecular weight of 382.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1,8,9,10-tetramethoxy-3-methylanthracen-2-yl)but-2-en-1-ol is sourced from PubChem (CID 23642399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).