2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C19H27ClO — CID 139864677

IUPAC2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCOC1CCC2CC(c3ccc(Cl)cc3)CCC2C1
InChIInChI=1S/C19H27ClO/c1-2-11-21-19-10-7-16-12-15(3-4-17(16)13-19)14-5-8-18(20)9-6-14/h5-6,8-9,15-17,19H,2-4,7,10-13H2,1H3
InChIKeyXBONNMBCTPMALK-UHFFFAOYSA-N
MW306.88 g/mol
LogP5.82
Rot. Bonds4

About 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 139864677) has the molecular formula C19H27ClO and a molecular weight of 306.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID139864677
Molecular FormulaC19H27ClO
Molecular Weight306.88 g/mol
Exact Mass306.18
IUPAC Name2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCOC1CCC2CC(c3ccc(Cl)cc3)CCC2C1
InChIInChI=1S/C19H27ClO/c1-2-11-21-19-10-7-16-12-15(3-4-17(16)13-19)14-5-8-18(20)9-6-14/h5-6,8-9,15-17,19H,2-4,7,10-13H2,1H3
InChIKeyXBONNMBCTPMALK-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.88
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 139864677) is 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCOC1CCC2CC(c3ccc(Cl)cc3)CCC2C1.
What is the InChIKey of 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is XBONNMBCTPMALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClO/c1-2-11-21-19-10-7-16-12-15(3-4-17(16)13-19)14-5-8-18(20)9-6-14/h5-6,8-9,15-17,19H,2-4,7,10-13H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 306.88 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-propoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 139864677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).