7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C18H28O3 — CID 62943696

IUPAC7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCCCOc1cc2c(cc1OCCC)C(O)CC(C)CC2
InChIInChI=1S/C18H28O3/c1-4-8-20-17-11-14-7-6-13(3)10-16(19)15(14)12-18(17)21-9-5-2/h11-13,16,19H,4-10H2,1-3H3
InChIKeyICOIWTZIBNCETG-UHFFFAOYSA-N
MW292.42 g/mol
LogP4.27
Rot. Bonds6

About 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 62943696) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID62943696
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCCCOc1cc2c(cc1OCCC)C(O)CC(C)CC2
InChIInChI=1S/C18H28O3/c1-4-8-20-17-11-14-7-6-13(3)10-16(19)15(14)12-18(17)21-9-5-2/h11-13,16,19H,4-10H2,1-3H3
InChIKeyICOIWTZIBNCETG-UHFFFAOYSA-N
XLogP4.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 62943696) is 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is CCCOc1cc2c(cc1OCCC)C(O)CC(C)CC2.
What is the InChIKey of 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is ICOIWTZIBNCETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-4-8-20-17-11-14-7-6-13(3)10-16(19)15(14)12-18(17)21-9-5-2/h11-13,16,19H,4-10H2,1-3H3.
What are the key properties of 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 292.42 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2,3-dipropoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 62943696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).