3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan

C17H13ClO — CID 114939633

IUPAC3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan
SMILESClC(c1ccoc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H13ClO/c18-17(13-8-9-19-10-13)15-7-6-12-5-4-11-2-1-3-14(15)16(11)12/h1-3,6-10,17H,4-5H2
InChIKeyRKUSQAFZMVAWPF-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.86
Rot. Bonds2

About 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan

3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan (PubChem CID 114939633) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan.

Molecular Properties

Compound Name3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan
PubChem CID114939633
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan
SMILESClC(c1ccoc1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H13ClO/c18-17(13-8-9-19-10-13)15-7-6-12-5-4-11-2-1-3-14(15)16(11)12/h1-3,6-10,17H,4-5H2
InChIKeyRKUSQAFZMVAWPF-UHFFFAOYSA-N
XLogP4.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.86
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(1,2-dihydroacenaphthylen-5-yl)methyl]furan?
The IUPAC name of 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan (CID 114939633) is 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan.
What is the SMILES notation for 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan?
The canonical SMILES for 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan is ClC(c1ccoc1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan?
The InChIKey is RKUSQAFZMVAWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c18-17(13-8-9-19-10-13)15-7-6-12-5-4-11-2-1-3-14(15)16(11)12/h1-3,6-10,17H,4-5H2.
What are the key properties of 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan?
3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan has a molecular weight of 268.74 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]furan is sourced from PubChem (CID 114939633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).