7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol

C20H16O3 — CID 177439308

IUPAC7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol
SMILESCOc1ccc2c3c(ccc(O)c13)OC2/C=C/c1ccccc1
InChIInChI=1S/C20H16O3/c1-22-17-11-8-14-16(10-7-13-5-3-2-4-6-13)23-18-12-9-15(21)20(17)19(14)18/h2-12,16,21H,1H3/b10-7+
InChIKeyPCQSLKKDTFOZRM-JXMROGBWSA-N
MW304.35 g/mol
LogP4.70
Rot. Bonds3

About 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol

7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol (PubChem CID 177439308) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol.

Molecular Properties

Compound Name7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol
PubChem CID177439308
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol
SMILESCOc1ccc2c3c(ccc(O)c13)OC2/C=C/c1ccccc1
InChIInChI=1S/C20H16O3/c1-22-17-11-8-14-16(10-7-13-5-3-2-4-6-13)23-18-12-9-15(21)20(17)19(14)18/h2-12,16,21H,1H3/b10-7+
InChIKeyPCQSLKKDTFOZRM-JXMROGBWSA-N
XLogP4.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol with MolForge

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Related Compounds

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CID 163193742
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CID 135057347
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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol?
The IUPAC name of 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol (CID 177439308) is 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol.
What is the SMILES notation for 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol?
The canonical SMILES for 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol is COc1ccc2c3c(ccc(O)c13)OC2/C=C/c1ccccc1.
What is the InChIKey of 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol?
The InChIKey is PCQSLKKDTFOZRM-JXMROGBWSA-N. The full InChI is InChI=1S/C20H16O3/c1-22-17-11-8-14-16(10-7-13-5-3-2-4-6-13)23-18-12-9-15(21)20(17)19(14)18/h2-12,16,21H,1H3/b10-7+.
What are the key properties of 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol?
7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol has a molecular weight of 304.35 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-[(E)-2-phenylethenyl]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4(12),5,7,9-pentaen-9-ol is sourced from PubChem (CID 177439308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).