4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran

C18H15ClO — CID 114939661

IUPAC4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran
SMILESCc1cc(C(Cl)c2ccc3c4c(cccc24)CC3)co1
InChIInChI=1S/C18H15ClO/c1-11-9-14(10-20-11)18(19)16-8-7-13-6-5-12-3-2-4-15(16)17(12)13/h2-4,7-10,18H,5-6H2,1H3
InChIKeyAJEJUONYXIKJKZ-UHFFFAOYSA-N
MW282.77 g/mol
LogP5.17
Rot. Bonds2

About 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran

4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran (PubChem CID 114939661) has the molecular formula C18H15ClO and a molecular weight of 282.77 g/mol. Its IUPAC name is 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran.

Molecular Properties

Compound Name4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran
PubChem CID114939661
Molecular FormulaC18H15ClO
Molecular Weight282.77 g/mol
Exact Mass282.08
IUPAC Name4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran
SMILESCc1cc(C(Cl)c2ccc3c4c(cccc24)CC3)co1
InChIInChI=1S/C18H15ClO/c1-11-9-14(10-20-11)18(19)16-8-7-13-6-5-12-3-2-4-15(16)17(12)13/h2-4,7-10,18H,5-6H2,1H3
InChIKeyAJEJUONYXIKJKZ-UHFFFAOYSA-N
XLogP5.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.77
LogP ≤ 55.17
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 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran?
The IUPAC name of 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran (CID 114939661) is 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran.
What is the SMILES notation for 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran?
The canonical SMILES for 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran is Cc1cc(C(Cl)c2ccc3c4c(cccc24)CC3)co1.
What is the InChIKey of 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran?
The InChIKey is AJEJUONYXIKJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO/c1-11-9-14(10-20-11)18(19)16-8-7-13-6-5-12-3-2-4-15(16)17(12)13/h2-4,7-10,18H,5-6H2,1H3.
What are the key properties of 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran?
4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran has a molecular weight of 282.77 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran is sourced from PubChem (CID 114939661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).