6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene

C18H25ClO — CID 114458684

IUPAC6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
SMILESClC(CC1CCCCCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H25ClO/c19-17(12-14-6-3-1-2-4-7-14)15-9-10-18-16(13-15)8-5-11-20-18/h9-10,13-14,17H,1-8,11-12H2
InChIKeyWALGYJGWRLJAFJ-UHFFFAOYSA-N
MW292.85 g/mol
LogP5.65
Rot. Bonds3

About 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene

6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene (PubChem CID 114458684) has the molecular formula C18H25ClO and a molecular weight of 292.85 g/mol. Its IUPAC name is 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
PubChem CID114458684
Molecular FormulaC18H25ClO
Molecular Weight292.85 g/mol
Exact Mass292.16
IUPAC Name6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene
SMILESClC(CC1CCCCCC1)c1ccc2c(c1)CCCO2
InChIInChI=1S/C18H25ClO/c19-17(12-14-6-3-1-2-4-7-14)15-9-10-18-16(13-15)8-5-11-20-18/h9-10,13-14,17H,1-8,11-12H2
InChIKeyWALGYJGWRLJAFJ-UHFFFAOYSA-N
XLogP5.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.85
LogP ≤ 55.65
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-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266
2-cyclobutyl-1-(3,4-dihydro-2H-chromen-6-yl)ethanamine
CID 103163028
5-(1-bromo-2-cycloheptylethyl)-2,3-dihydro-1-benzofuran
CID 114458706
3-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)propan-1-ol
CID 63427036
6-(1-chloro-4-methylpentyl)-3,4-dihydro-2H-chromene
CID 55199306
5-[chloro(cyclohexyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430096
5-(1-chloro-2-cyclopentylethyl)-1,3-dihydro-2-benzofuran
CID 63019567
5-(1-chloro-2-cycloheptylethyl)-3,3-dimethyl-2H-1-benzofuran
CID 107294337
N-[cyclohexyl(3,4-dihydro-2H-chromen-6-yl)methyl]propan-1-amine
CID 63503431
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966
6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
CID 63435145
cyclooctyl(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 65018642

Frequently Asked Questions

What is the IUPAC name of 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene (CID 114458684) is 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene is ClC(CC1CCCCCC1)c1ccc2c(c1)CCCO2.
What is the InChIKey of 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene?
The InChIKey is WALGYJGWRLJAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClO/c19-17(12-14-6-3-1-2-4-7-14)15-9-10-18-16(13-15)8-5-11-20-18/h9-10,13-14,17H,1-8,11-12H2.
What are the key properties of 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene?
6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene has a molecular weight of 292.85 g/mol, XLogP of 5.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-chloro-2-cycloheptylethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 114458684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).