(5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol

C18H16O4 — CID 44557485

IUPAC(5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol
SMILESCOc1ccc2c(c1)CC=C(CO)c1cc3c(cc1-2)OCO3
InChIInChI=1S/C18H16O4/c1-20-13-4-5-14-11(6-13)2-3-12(9-19)15-7-17-18(8-16(14)15)22-10-21-17/h3-8,19H,2,9-10H2,1H3
InChIKeyIGHVWFLGYLMNRM-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.02
Rot. Bonds2

About (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol

(5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol (PubChem CID 44557485) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol.

Molecular Properties

Compound Name(5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol
PubChem CID44557485
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name(5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol
SMILESCOc1ccc2c(c1)CC=C(CO)c1cc3c(cc1-2)OCO3
InChIInChI=1S/C18H16O4/c1-20-13-4-5-14-11(6-13)2-3-12(9-19)15-7-17-18(8-16(14)15)22-10-21-17/h3-8,19H,2,9-10H2,1H3
InChIKeyIGHVWFLGYLMNRM-UHFFFAOYSA-N
XLogP3.02
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol?
The IUPAC name of (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol (CID 44557485) is (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol.
What is the SMILES notation for (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol?
The canonical SMILES for (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol is COc1ccc2c(c1)CC=C(CO)c1cc3c(cc1-2)OCO3.
What is the InChIKey of (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol?
The InChIKey is IGHVWFLGYLMNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-20-13-4-5-14-11(6-13)2-3-12(9-19)15-7-17-18(8-16(14)15)22-10-21-17/h3-8,19H,2,9-10H2,1H3.
What are the key properties of (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol?
(5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol has a molecular weight of 296.32 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol is sourced from PubChem (CID 44557485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).