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

C17H22O3 — CID 143395914

IUPACethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol
SMILESCC.CC1=C2C=CC(O)=CC2OC2=C1C=CC(O)CC2
InChIInChI=1S/C15H16O3.C2H6/c1-9-12-5-2-10(16)4-7-14(12)18-15-8-11(17)3-6-13(9)15;1-2/h2-3,5-6,8,10,15-17H,4,7H2,1H3;1-2H3
InChIKeyDZOREGDNEMBZKO-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.70
Rot. Bonds

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

ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol (PubChem CID 143395914) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol.

Molecular Properties

Compound Nameethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol
PubChem CID143395914
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Nameethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol
SMILESCC.CC1=C2C=CC(O)=CC2OC2=C1C=CC(O)CC2
InChIInChI=1S/C15H16O3.C2H6/c1-9-12-5-2-10(16)4-7-14(12)18-15-8-11(17)3-6-13(9)15;1-2/h2-3,5-6,8,10,15-17H,4,7H2,1H3;1-2H3
InChIKeyDZOREGDNEMBZKO-UHFFFAOYSA-N
XLogP3.70
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol?
The IUPAC name of ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol (CID 143395914) is ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol.
What is the SMILES notation for ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol?
The canonical SMILES for ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol is CC.CC1=C2C=CC(O)=CC2OC2=C1C=CC(O)CC2.
What is the InChIKey of ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol?
The InChIKey is DZOREGDNEMBZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3.C2H6/c1-9-12-5-2-10(16)4-7-14(12)18-15-8-11(17)3-6-13(9)15;1-2/h2-3,5-6,8,10,15-17H,4,7H2,1H3;1-2H3.
What are the key properties of ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol?
ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol has a molecular weight of 274.36 g/mol, XLogP of 3.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;11-methyl-4a,6,7,8-tetrahydrocyclohepta[b]chromene-3,8-diol is sourced from PubChem (CID 143395914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).