(7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate

C21H24O4 — CID 2983984

IUPAC(7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate
SMILESCOc1ccc2c(c1)OC(C)C1=C2CCC2(C)C1=CCC2OC(C)=O
InChIInChI=1S/C21H24O4/c1-12-20-16(15-6-5-14(23-4)11-18(15)24-12)9-10-21(3)17(20)7-8-19(21)25-13(2)22/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyLRTUTQVESNZNCY-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.29
Rot. Bonds2

About (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate

(7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate (PubChem CID 2983984) has the molecular formula C21H24O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate.

Molecular Properties

Compound Name(7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate
PubChem CID2983984
Molecular FormulaC21H24O4
Molecular Weight340.42 g/mol
Exact Mass340.17
IUPAC Name(7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate
SMILESCOc1ccc2c(c1)OC(C)C1=C2CCC2(C)C1=CCC2OC(C)=O
InChIInChI=1S/C21H24O4/c1-12-20-16(15-6-5-14(23-4)11-18(15)24-12)9-10-21(3)17(20)7-8-19(21)25-13(2)22/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyLRTUTQVESNZNCY-UHFFFAOYSA-N
XLogP4.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate?
The IUPAC name of (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate (CID 2983984) is (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate.
What is the SMILES notation for (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate?
The canonical SMILES for (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate is COc1ccc2c(c1)OC(C)C1=C2CCC2(C)C1=CCC2OC(C)=O.
What is the InChIKey of (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate?
The InChIKey is LRTUTQVESNZNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O4/c1-12-20-16(15-6-5-14(23-4)11-18(15)24-12)9-10-21(3)17(20)7-8-19(21)25-13(2)22/h5-7,11-12,19H,8-10H2,1-4H3.
What are the key properties of (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate?
(7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate has a molecular weight of 340.42 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4,11a-dimethyl-2,4,10,11-tetrahydro-1H-indeno[4,5-c]chromen-1-yl) acetate is sourced from PubChem (CID 2983984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).