(10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione

C23H23ClO6 — CID 131970706

IUPAC(10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
SMILESCC1CC(c2ccccc2)OC(=O)c2c(O)cc(O)c(Cl)c2CC(=O)/C=C/CCO1
InChIInChI=1S/C23H23ClO6/c1-14-11-20(15-7-3-2-4-8-15)30-23(28)21-17(22(24)19(27)13-18(21)26)12-16(25)9-5-6-10-29-14/h2-5,7-9,13-14,20,26-27H,6,10-12H2,1H3/b9-5+
InChIKeyLNZGROFAUYRQAR-WEVVVXLNSA-N
MW430.88 g/mol
LogP4.52
Rot. Bonds1

About (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione

(10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione (PubChem CID 131970706) has the molecular formula C23H23ClO6 and a molecular weight of 430.88 g/mol. Its IUPAC name is (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione.

Molecular Properties

Compound Name(10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
PubChem CID131970706
Molecular FormulaC23H23ClO6
Molecular Weight430.88 g/mol
Exact Mass430.12
IUPAC Name(10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione
SMILESCC1CC(c2ccccc2)OC(=O)c2c(O)cc(O)c(Cl)c2CC(=O)/C=C/CCO1
InChIInChI=1S/C23H23ClO6/c1-14-11-20(15-7-3-2-4-8-15)30-23(28)21-17(22(24)19(27)13-18(21)26)12-16(25)9-5-6-10-29-14/h2-5,7-9,13-14,20,26-27H,6,10-12H2,1H3/b9-5+
InChIKeyLNZGROFAUYRQAR-WEVVVXLNSA-N
XLogP4.52
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.88
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione?
The IUPAC name of (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione (CID 131970706) is (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione.
What is the SMILES notation for (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione?
The canonical SMILES for (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione is CC1CC(c2ccccc2)OC(=O)c2c(O)cc(O)c(Cl)c2CC(=O)/C=C/CCO1.
What is the InChIKey of (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione?
The InChIKey is LNZGROFAUYRQAR-WEVVVXLNSA-N. The full InChI is InChI=1S/C23H23ClO6/c1-14-11-20(15-7-3-2-4-8-15)30-23(28)21-17(22(24)19(27)13-18(21)26)12-16(25)9-5-6-10-29-14/h2-5,7-9,13-14,20,26-27H,6,10-12H2,1H3/b9-5+.
What are the key properties of (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione?
(10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione has a molecular weight of 430.88 g/mol, XLogP of 4.52, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10E)-15-chloro-16,18-dihydroxy-6-methyl-4-phenyl-3,7-dioxabicyclo[12.4.0]octadeca-1(14),10,15,17-tetraene-2,12-dione is sourced from PubChem (CID 131970706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).