2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran

C15H15ClO — CID 61086619

IUPAC2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H15ClO/c1-10-7-8-17-15(10)14(16)13-6-5-11-3-2-4-12(11)9-13/h5-9,14H,2-4H2,1H3
InChIKeyNYWOUUKCTUMOLR-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.40
Rot. Bonds2

About 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran

2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran (PubChem CID 61086619) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran.

Molecular Properties

Compound Name2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
PubChem CID61086619
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
SMILESCc1ccoc1C(Cl)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H15ClO/c1-10-7-8-17-15(10)14(16)13-6-5-11-3-2-4-12(11)9-13/h5-9,14H,2-4H2,1H3
InChIKeyNYWOUUKCTUMOLR-UHFFFAOYSA-N
XLogP4.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]-3-methylfuran
CID 63439439
2-[chloro-(3,4-dichlorophenyl)methyl]-3-methylfuran
CID 63436451
5-[chloro-(2,5-dibromo-4-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81473689
5-[chloro-(3-methylfuran-2-yl)methyl]-1-methyl-3H-indol-2-one
CID 61086222
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylfuran-2-yl)ethanamine
CID 104804281
5-[chloro-(2-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 81477360
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
5-[chloro-(3-methylfuran-2-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 80501256
3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
CID 63431176
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
2,3-dihydro-1H-inden-5-yl-(2-methylfuran-3-yl)methanamine
CID 43464481

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran?
The IUPAC name of 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran (CID 61086619) is 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran.
What is the SMILES notation for 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran?
The canonical SMILES for 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran is Cc1ccoc1C(Cl)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran?
The InChIKey is NYWOUUKCTUMOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c1-10-7-8-17-15(10)14(16)13-6-5-11-3-2-4-12(11)9-13/h5-9,14H,2-4H2,1H3.
What are the key properties of 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran?
2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran has a molecular weight of 246.74 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran is sourced from PubChem (CID 61086619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).