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

C15H15ClO — CID 63431176

IUPAC3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
SMILESClC(c1ccoc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H15ClO/c16-15(14-7-8-17-10-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,15H,1-4H2
InChIKeyVSUYSODRASDGQP-UHFFFAOYSA-N
MW246.74 g/mol
LogP4.49
Rot. Bonds2

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

3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan (PubChem CID 63431176) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan.

Molecular Properties

Compound Name3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
PubChem CID63431176
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan
SMILESClC(c1ccoc1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H15ClO/c16-15(14-7-8-17-10-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,15H,1-4H2
InChIKeyVSUYSODRASDGQP-UHFFFAOYSA-N
XLogP4.49
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 ≤ 54.49
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

6-[chloro-(3,4-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63430631
6-[chloro-(4-propan-2-ylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431080
[2,3-dihydro-1H-inden-5-yl(furan-3-yl)methyl]hydrazine
CID 105305866
5-[(4-bromophenyl)-chloromethyl]-2,3-dihydro-1H-indene
CID 63429122
6-[chloro-(3-chloro-4-iodophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 103210512
3-[chloro-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)methyl]furan
CID 116525941
5-[chloro-(3,5-difluorophenyl)methyl]-2,3-dihydro-1H-indene
CID 55198708
5-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-2,3-dihydro-1-benzofuran
CID 63430140
2-bromo-4-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]thiophene
CID 114021592
6-[chloro-(2,6-dichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63431220
5-[chloro-[4-(2-methylpropyl)phenyl]methyl]-2,3-dihydro-1H-indene
CID 63430886
2-[chloro(2,3-dihydro-1H-inden-5-yl)methyl]-3-methylfuran
CID 61086619

Frequently Asked Questions

What is the IUPAC name of 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan?
The IUPAC name of 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan (CID 63431176) is 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan.
What is the SMILES notation for 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan?
The canonical SMILES for 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan is ClC(c1ccoc1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan?
The InChIKey is VSUYSODRASDGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c16-15(14-7-8-17-10-14)13-6-5-11-3-1-2-4-12(11)9-13/h5-10,15H,1-4H2.
What are the key properties of 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan?
3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan has a molecular weight of 246.74 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro(5,6,7,8-tetrahydronaphthalen-2-yl)methyl]furan is sourced from PubChem (CID 63431176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).