(17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol

C19H20O2 — CID 58846412

IUPAC(17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol
SMILESCc1ccc2c(c1)C1OC(CO)CC1c1ccccc1C2
InChIInChI=1S/C19H20O2/c1-12-6-7-14-9-13-4-2-3-5-16(13)18-10-15(11-20)21-19(18)17(14)8-12/h2-8,15,18-20H,9-11H2,1H3
InChIKeyZAIZIKPLVDBWHW-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.51
Rot. Bonds1

About (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol

(17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol (PubChem CID 58846412) has the molecular formula C19H20O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol.

Molecular Properties

Compound Name(17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol
PubChem CID58846412
Molecular FormulaC19H20O2
Molecular Weight280.37 g/mol
Exact Mass280.15
IUPAC Name(17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol
SMILESCc1ccc2c(c1)C1OC(CO)CC1c1ccccc1C2
InChIInChI=1S/C19H20O2/c1-12-6-7-14-9-13-4-2-3-5-16(13)18-10-15(11-20)21-19(18)17(14)8-12/h2-8,15,18-20H,9-11H2,1H3
InChIKeyZAIZIKPLVDBWHW-UHFFFAOYSA-N
XLogP3.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol?
The IUPAC name of (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol (CID 58846412) is (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol.
What is the SMILES notation for (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol?
The canonical SMILES for (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol is Cc1ccc2c(c1)C1OC(CO)CC1c1ccccc1C2.
What is the InChIKey of (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol?
The InChIKey is ZAIZIKPLVDBWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2/c1-12-6-7-14-9-13-4-2-3-5-16(13)18-10-15(11-20)21-19(18)17(14)8-12/h2-8,15,18-20H,9-11H2,1H3.
What are the key properties of (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol?
(17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol has a molecular weight of 280.37 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (17-methyl-3-oxatetracyclo[12.4.0.02,6.07,12]octadeca-1(14),7,9,11,15,17-hexaen-4-yl)methanol is sourced from PubChem (CID 58846412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).