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

C22H24O4 — CID 4056743

IUPAC7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESC=CC1=CCC2C(=O)C(C)=CC(=O)C2(C)C1c1ccc(OCCO)cc1
InChIInChI=1S/C22H24O4/c1-4-15-7-10-18-21(25)14(2)13-19(24)22(18,3)20(15)16-5-8-17(9-6-16)26-12-11-23/h4-9,13,18,20,23H,1,10-12H2,2-3H3
InChIKeyJBEBUWYEAJOTEQ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.38
Rot. Bonds5

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

7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione (PubChem CID 4056743) has the molecular formula C22H24O4 and a molecular weight of 352.43 g/mol. Its IUPAC name is 7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione.

Molecular Properties

Compound Name7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
PubChem CID4056743
Molecular FormulaC22H24O4
Molecular Weight352.43 g/mol
Exact Mass352.17
IUPAC Name7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione
SMILESC=CC1=CCC2C(=O)C(C)=CC(=O)C2(C)C1c1ccc(OCCO)cc1
InChIInChI=1S/C22H24O4/c1-4-15-7-10-18-21(25)14(2)13-19(24)22(18,3)20(15)16-5-8-17(9-6-16)26-12-11-23/h4-9,13,18,20,23H,1,10-12H2,2-3H3
InChIKeyJBEBUWYEAJOTEQ-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-[4-(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-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The IUPAC name of 7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione (CID 4056743) is 7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione.
What is the SMILES notation for 7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The canonical SMILES for 7-ethenyl-8-[4-(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)C1c1ccc(OCCO)cc1.
What is the InChIKey of 7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
The InChIKey is JBEBUWYEAJOTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O4/c1-4-15-7-10-18-21(25)14(2)13-19(24)22(18,3)20(15)16-5-8-17(9-6-16)26-12-11-23/h4-9,13,18,20,23H,1,10-12H2,2-3H3.
What are the key properties of 7-ethenyl-8-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione?
7-ethenyl-8-[4-(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-[4-(2-hydroxyethoxy)phenyl]-3,8a-dimethyl-5,8-dihydro-4aH-naphthalene-1,4-dione is sourced from PubChem (CID 4056743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).