7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione

C22H24O4 — CID 3662172

IUPAC7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESC=CC1=CCC2C(=O)C(C)=CC(=O)C2(C)C1c1ccccc1OCCO
InChIInChI=1S/C22H24O4/c1-4-15-9-10-17-21(25)14(2)13-19(24)22(17,3)20(15)16-7-5-6-8-18(16)26-12-11-23/h4-9,13,17,20,23H,1,10-12H2,2-3H3
InChIKeyAMCVYDQFRBFECR-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.38
Rot. Bonds5

About 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione

7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione (PubChem CID 3662172) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione.

Molecular Properties

Compound Name7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
PubChem CID3662172
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESC=CC1=CCC2C(=O)C(C)=CC(=O)C2(C)C1c1ccccc1OCCO
InChIInChI=1S/C22H24O4/c1-4-15-9-10-17-21(25)14(2)13-19(24)22(17,3)20(15)16-7-5-6-8-18(16)26-12-11-23/h4-9,13,17,20,23H,1,10-12H2,2-3H3
InChIKeyAMCVYDQFRBFECR-UHFFFAOYSA-N
XLogP3.38
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The IUPAC name of 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione (CID 3662172) is 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione.
What is the SMILES notation for 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The canonical SMILES for 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione is C=CC1=CCC2C(=O)C(C)=CC(=O)C2(C)C1c1ccccc1OCCO.
What is the InChIKey of 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The InChIKey is AMCVYDQFRBFECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-4-15-9-10-17-21(25)14(2)13-19(24)22(17,3)20(15)16-7-5-6-8-18(16)26-12-11-23/h4-9,13,17,20,23H,1,10-12H2,2-3H3.
What are the key properties of 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione has a molecular weight of 352.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-8-[2-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione is sourced from PubChem (CID 3662172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).