(2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate

C17H20O3 — CID 67627421

IUPAC(2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate
SMILESCC(=O)OC1(C)C=Cc2c(C)cc3c(c2O1)CCCC3
InChIInChI=1S/C17H20O3/c1-11-10-13-6-4-5-7-15(13)16-14(11)8-9-17(3,20-16)19-12(2)18/h8-10H,4-7H2,1-3H3
InChIKeyZBWYCPBJOJDBET-UHFFFAOYSA-N
MW272.34 g/mol
LogP3.56
Rot. Bonds1

About (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate

(2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate (PubChem CID 67627421) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate.

Molecular Properties

Compound Name(2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate
PubChem CID67627421
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name(2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate
SMILESCC(=O)OC1(C)C=Cc2c(C)cc3c(c2O1)CCCC3
InChIInChI=1S/C17H20O3/c1-11-10-13-6-4-5-7-15(13)16-14(11)8-9-17(3,20-16)19-12(2)18/h8-10H,4-7H2,1-3H3
InChIKeyZBWYCPBJOJDBET-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate?
The IUPAC name of (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate (CID 67627421) is (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate.
What is the SMILES notation for (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate?
The canonical SMILES for (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate is CC(=O)OC1(C)C=Cc2c(C)cc3c(c2O1)CCCC3.
What is the InChIKey of (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate?
The InChIKey is ZBWYCPBJOJDBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O3/c1-11-10-13-6-4-5-7-15(13)16-14(11)8-9-17(3,20-16)19-12(2)18/h8-10H,4-7H2,1-3H3.
What are the key properties of (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate?
(2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate has a molecular weight of 272.34 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-7,8,9,10-tetrahydrobenzo[h]chromen-2-yl) acetate is sourced from PubChem (CID 67627421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).