3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan

C19H23ClO — CID 116525941

IUPAC3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan
SMILESCC1(C)CCC(C)(C)c2cc(C(Cl)c3ccoc3)ccc21
InChIInChI=1S/C19H23ClO/c1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)17(20)14-7-10-21-12-14/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyRBCGVVDIRWSADR-UHFFFAOYSA-N
MW302.85 g/mol
LogP5.96
Rot. Bonds2

About 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan

3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan (PubChem CID 116525941) has the molecular formula C19H23ClO and a molecular weight of 302.85 g/mol. Its IUPAC name is 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan.

Molecular Properties

Compound Name3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan
PubChem CID116525941
Molecular FormulaC19H23ClO
Molecular Weight302.85 g/mol
Exact Mass302.14
IUPAC Name3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan
SMILESCC1(C)CCC(C)(C)c2cc(C(Cl)c3ccoc3)ccc21
InChIInChI=1S/C19H23ClO/c1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)17(20)14-7-10-21-12-14/h5-7,10-12,17H,8-9H2,1-4H3
InChIKeyRBCGVVDIRWSADR-UHFFFAOYSA-N
XLogP5.96
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.85
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan?
The IUPAC name of 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan (CID 116525941) is 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan.
What is the SMILES notation for 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan?
The canonical SMILES for 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan is CC1(C)CCC(C)(C)c2cc(C(Cl)c3ccoc3)ccc21.
What is the InChIKey of 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan?
The InChIKey is RBCGVVDIRWSADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClO/c1-18(2)8-9-19(3,4)16-11-13(5-6-15(16)18)17(20)14-7-10-21-12-14/h5-7,10-12,17H,8-9H2,1-4H3.
What are the key properties of 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan?
3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan has a molecular weight of 302.85 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan is sourced from PubChem (CID 116525941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).