[4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol

C20H19NO2 — CID 51360704

IUPAC[4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol
SMILESCn1ccc2c(-c3ccc(CO)cc3)cc3c(c21)C1CCC3O1
InChIInChI=1S/C20H19NO2/c1-21-9-8-14-15(13-4-2-12(11-22)3-5-13)10-16-17-6-7-18(23-17)19(16)20(14)21/h2-5,8-10,17-18,22H,6-7,11H2,1H3
InChIKeyONJOSWJUAORYHI-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.24
Rot. Bonds2

About [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol

[4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol (PubChem CID 51360704) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol
PubChem CID51360704
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol
SMILESCn1ccc2c(-c3ccc(CO)cc3)cc3c(c21)C1CCC3O1
InChIInChI=1S/C20H19NO2/c1-21-9-8-14-15(13-4-2-12(11-22)3-5-13)10-16-17-6-7-18(23-17)19(16)20(14)21/h2-5,8-10,17-18,22H,6-7,11H2,1H3
InChIKeyONJOSWJUAORYHI-UHFFFAOYSA-N
XLogP4.24
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol?
The IUPAC name of [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol (CID 51360704) is [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol.
What is the SMILES notation for [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol?
The canonical SMILES for [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol is Cn1ccc2c(-c3ccc(CO)cc3)cc3c(c21)C1CCC3O1.
What is the InChIKey of [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol?
The InChIKey is ONJOSWJUAORYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21-9-8-14-15(13-4-2-12(11-22)3-5-13)10-16-17-6-7-18(23-17)19(16)20(14)21/h2-5,8-10,17-18,22H,6-7,11H2,1H3.
What are the key properties of [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol?
[4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol has a molecular weight of 305.38 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methyl-14-oxa-4-azatetracyclo[9.2.1.02,10.03,7]tetradeca-2(10),3(7),5,8-tetraen-8-yl)phenyl]methanol is sourced from PubChem (CID 51360704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).