8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene

C16H19ClO — CID 107383866

IUPAC8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene
SMILESClC1C=C(c2cccc3c2OCCC3)CCCC1
InChIInChI=1S/C16H19ClO/c17-14-8-2-1-5-13(11-14)15-9-3-6-12-7-4-10-18-16(12)15/h3,6,9,11,14H,1-2,4-5,7-8,10H2
InChIKeyOJCQFBGPAIZTCY-UHFFFAOYSA-N
MW262.78 g/mol
LogP4.58
Rot. Bonds1

About 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene

8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene (PubChem CID 107383866) has the molecular formula C16H19ClO and a molecular weight of 262.78 g/mol. Its IUPAC name is 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene
PubChem CID107383866
Molecular FormulaC16H19ClO
Molecular Weight262.78 g/mol
Exact Mass262.11
IUPAC Name8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene
SMILESClC1C=C(c2cccc3c2OCCC3)CCCC1
InChIInChI=1S/C16H19ClO/c17-14-8-2-1-5-13(11-14)15-9-3-6-12-7-4-10-18-16(12)15/h3,6,9,11,14H,1-2,4-5,7-8,10H2
InChIKeyOJCQFBGPAIZTCY-UHFFFAOYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 54.58
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

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CID 114747098
3-(2,3-dihydro-1-benzofuran-7-yl)cyclohex-2-en-1-amine
CID 114746986
3-(3,4-dihydro-2H-chromen-8-yl)-5,5-dimethylcyclohex-2-en-1-ol
CID 114747027
6-(3,4-dihydro-2H-chromen-8-yl)pyridin-3-ol
CID 114747681
4-bromo-2-cyclopropyl-6-(3,4-dihydro-2H-chromen-8-yl)pyrimidine
CID 114747162
4-(3,4-dihydro-2H-chromen-8-yl)pyridine
CID 165409197
cycloheptyl(3,4-dihydro-2H-chromen-8-yl)methanamine
CID 114745566
3-chloro-1-(2-propan-2-yloxyphenyl)cycloheptene
CID 107383757
8-(2-fluorophenyl)-3,4-dihydro-2H-chromene;methanamine
CID 143567573
3,4-dihydro-2H-chromene-8-thiol
CID 123990330
2-chloro-4-(3,4-dihydro-2H-chromen-8-yl)phenol
CID 114747683
tris(3,4-dihydro-2H-chromen-8-yl)phosphane
CID 87299813

Frequently Asked Questions

What is the IUPAC name of 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene?
The IUPAC name of 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene (CID 107383866) is 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene is ClC1C=C(c2cccc3c2OCCC3)CCCC1.
What is the InChIKey of 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene?
The InChIKey is OJCQFBGPAIZTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClO/c17-14-8-2-1-5-13(11-14)15-9-3-6-12-7-4-10-18-16(12)15/h3,6,9,11,14H,1-2,4-5,7-8,10H2.
What are the key properties of 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene?
8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene has a molecular weight of 262.78 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chlorocyclohepten-1-yl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 107383866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).