11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol

C15H16O3 — CID 143395915

IUPAC11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol
SMILESCC1=C2C=CC(O)=CC2OC2=C1C=CC(O)CC2
InChIInChI=1S/C15H16O3/c1-9-12-5-2-10(16)4-7-14(12)18-15-8-11(17)3-6-13(9)15/h2-3,5-6,8,10,15-17H,4,7H2,1H3
InChIKeyAMDFHYGMVTWPCE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.68
Rot. Bonds

About 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol

11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol (PubChem CID 143395915) has the molecular formula C15H16O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol.

Molecular Properties

Compound Name11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol
PubChem CID143395915
Molecular FormulaC15H16O3
Molecular Weight244.29 g/mol
Exact Mass244.11
IUPAC Name11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol
SMILESCC1=C2C=CC(O)=CC2OC2=C1C=CC(O)CC2
InChIInChI=1S/C15H16O3/c1-9-12-5-2-10(16)4-7-14(12)18-15-8-11(17)3-6-13(9)15/h2-3,5-6,8,10,15-17H,4,7H2,1H3
InChIKeyAMDFHYGMVTWPCE-UHFFFAOYSA-N
XLogP2.68
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol?
The IUPAC name of 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol (CID 143395915) is 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol.
What is the SMILES notation for 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol?
The canonical SMILES for 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol is CC1=C2C=CC(O)=CC2OC2=C1C=CC(O)CC2.
What is the InChIKey of 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol?
The InChIKey is AMDFHYGMVTWPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3/c1-9-12-5-2-10(16)4-7-14(12)18-15-8-11(17)3-6-13(9)15/h2-3,5-6,8,10,15-17H,4,7H2,1H3.
What are the key properties of 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol?
11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol has a molecular weight of 244.29 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol is sourced from PubChem (CID 143395915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).