2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C24H29ClO — CID 139867440

IUPAC2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCOC1CCC2CC(c3ccc(-c4ccc(Cl)cc4)cc3)CCC2C1
InChIInChI=1S/C24H29ClO/c1-2-26-24-14-11-21-15-20(7-8-22(21)16-24)19-5-3-17(4-6-19)18-9-12-23(25)13-10-18/h3-6,9-10,12-13,20-22,24H,2,7-8,11,14-16H2,1H3
InChIKeyYUPSEPSBUDIUOE-UHFFFAOYSA-N
MW368.95 g/mol
LogP7.10
Rot. Bonds4

About 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139867440) has the molecular formula C24H29ClO and a molecular weight of 368.95 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139867440
Molecular FormulaC24H29ClO
Molecular Weight368.95 g/mol
Exact Mass368.19
IUPAC Name2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCOC1CCC2CC(c3ccc(-c4ccc(Cl)cc4)cc3)CCC2C1
InChIInChI=1S/C24H29ClO/c1-2-26-24-14-11-21-15-20(7-8-22(21)16-24)19-5-3-17(4-6-19)18-9-12-23(25)13-10-18/h3-6,9-10,12-13,20-22,24H,2,7-8,11,14-16H2,1H3
InChIKeyYUPSEPSBUDIUOE-UHFFFAOYSA-N
XLogP7.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.95
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene 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 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139867440) is 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCOC1CCC2CC(c3ccc(-c4ccc(Cl)cc4)cc3)CCC2C1.
What is the InChIKey of 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is YUPSEPSBUDIUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClO/c1-2-26-24-14-11-21-15-20(7-8-22(21)16-24)19-5-3-17(4-6-19)18-9-12-23(25)13-10-18/h3-6,9-10,12-13,20-22,24H,2,7-8,11,14-16H2,1H3.
What are the key properties of 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 368.95 g/mol, XLogP of 7.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)phenyl]-6-ethoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139867440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).