14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol

C26H14O4 — CID 144582613

IUPAC14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol
SMILESOc1ccc2cc3oc4cc5c(cc4c3cc2c1)oc1cc2ccc(O)cc2cc15
InChIInChI=1S/C26H14O4/c27-17-3-1-13-9-23-19(7-15(13)5-17)21-11-26-22(12-25(21)29-23)20-8-16-6-18(28)4-2-14(16)10-24(20)30-26/h1-12,27-28H
InChIKeyGYBHIKUIIUHKFR-UHFFFAOYSA-N
MW390.39 g/mol
LogP7.20
Rot. Bonds

About 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol

14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol (PubChem CID 144582613) has the molecular formula C26H14O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol.

Molecular Properties

Compound Name14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol
PubChem CID144582613
Molecular FormulaC26H14O4
Molecular Weight390.39 g/mol
Exact Mass390.09
IUPAC Name14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol
SMILESOc1ccc2cc3oc4cc5c(cc4c3cc2c1)oc1cc2ccc(O)cc2cc15
InChIInChI=1S/C26H14O4/c27-17-3-1-13-9-23-19(7-15(13)5-17)21-11-26-22(12-25(21)29-23)20-8-16-6-18(28)4-2-14(16)10-24(20)30-26/h1-12,27-28H
InChIKeyGYBHIKUIIUHKFR-UHFFFAOYSA-N
XLogP7.20
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.39
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol with MolForge

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Related Compounds

8-hydroxybenzo[b]xanthen-12-one
CID 135167525
8,22-diethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene
CID 118153192
7-bromo-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155318564
sodium;hydride;naphthalene-2,6-diol
CID 174639769
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
8-bromonaphtho[2,3-b][1]benzofuran
CID 154948063
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
naphthalen-2-ol
CID 71750931
1-iodonaphtho[2,3-b][1]benzofuran-2-ol
CID 147872785
CID 69280188
CID 69280188
13,27-dioxa-1-azaoctacyclo[13.13.1.02,14.03,12.05,10.019,29.020,28.021,26]nonacosa-2(14),3(12),4,6,8,10,15(29),16,18,20(28),21,23,25-tridecaene-8,18-diol
CID 165076620
8-aminodibenzofuran-2-ol
CID 22664086

Frequently Asked Questions

What is the IUPAC name of 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol?
The IUPAC name of 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol (CID 144582613) is 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol.
What is the SMILES notation for 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol?
The canonical SMILES for 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol is Oc1ccc2cc3oc4cc5c(cc4c3cc2c1)oc1cc2ccc(O)cc2cc15.
What is the InChIKey of 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol?
The InChIKey is GYBHIKUIIUHKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14O4/c27-17-3-1-13-9-23-19(7-15(13)5-17)21-11-26-22(12-25(21)29-23)20-8-16-6-18(28)4-2-14(16)10-24(20)30-26/h1-12,27-28H.
What are the key properties of 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol?
14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol has a molecular weight of 390.39 g/mol, XLogP of 7.20, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaene-8,22-diol is sourced from PubChem (CID 144582613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).