(6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran

C19H22O2 — CID 11369566

IUPAC(6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran
SMILESC=C1C(=C(C)C)CC[C@@H](C)c2oc3ccc(OC)cc3c21
InChIInChI=1S/C19H22O2/c1-11(2)15-8-6-12(3)19-18(13(15)4)16-10-14(20-5)7-9-17(16)21-19/h7,9-10,12H,4,6,8H2,1-3,5H3/t12-/m1/s1
InChIKeyWOAIVMHGPDFBMN-GFCCVEGCSA-N
MW282.38 g/mol
LogP5.69
Rot. Bonds1

About (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran

(6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran (PubChem CID 11369566) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran.

Molecular Properties

Compound Name(6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran
PubChem CID11369566
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran
SMILESC=C1C(=C(C)C)CC[C@@H](C)c2oc3ccc(OC)cc3c21
InChIInChI=1S/C19H22O2/c1-11(2)15-8-6-12(3)19-18(13(15)4)16-10-14(20-5)7-9-17(16)21-19/h7,9-10,12H,4,6,8H2,1-3,5H3/t12-/m1/s1
InChIKeyWOAIVMHGPDFBMN-GFCCVEGCSA-N
XLogP5.69
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran?
The IUPAC name of (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran (CID 11369566) is (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran.
What is the SMILES notation for (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran?
The canonical SMILES for (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran is C=C1C(=C(C)C)CC[C@@H](C)c2oc3ccc(OC)cc3c21.
What is the InChIKey of (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran?
The InChIKey is WOAIVMHGPDFBMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22O2/c1-11(2)15-8-6-12(3)19-18(13(15)4)16-10-14(20-5)7-9-17(16)21-19/h7,9-10,12H,4,6,8H2,1-3,5H3/t12-/m1/s1.
What are the key properties of (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran?
(6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran has a molecular weight of 282.38 g/mol, XLogP of 5.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-methoxy-6-methyl-10-methylidene-9-propan-2-ylidene-7,8-dihydro-6H-cyclohepta[b][1]benzofuran is sourced from PubChem (CID 11369566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).