(5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran

C15H16O — CID 11745938

IUPAC(5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran
SMILESCc1ccc2c(c1)-c1c(C)coc1C[C@H]2C
InChIInChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
InChIKeyCTILMUMVHPOCNU-SNVBAGLBSA-N
MW212.29 g/mol
LogP4.22
Rot. Bonds

About (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran

(5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran (PubChem CID 11745938) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran.

Molecular Properties

Compound Name(5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran
PubChem CID11745938
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name(5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran
SMILESCc1ccc2c(c1)-c1c(C)coc1C[C@H]2C
InChIInChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1
InChIKeyCTILMUMVHPOCNU-SNVBAGLBSA-N
XLogP4.22
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran?
The IUPAC name of (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran (CID 11745938) is (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran.
What is the SMILES notation for (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran?
The canonical SMILES for (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran is Cc1ccc2c(c1)-c1c(C)coc1C[C@H]2C.
What is the InChIKey of (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran?
The InChIKey is CTILMUMVHPOCNU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H16O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1.
What are the key properties of (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran?
(5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran has a molecular weight of 212.29 g/mol, XLogP of 4.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1,5,8-trimethyl-4,5-dihydrobenzo[e][1]benzofuran is sourced from PubChem (CID 11745938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).