6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene

C17H21ClO2 — CID 15129435

IUPAC6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene
SMILESCCCCC#Cc1c(OC)c(Cl)cc2c1OC(C)CC2
InChIInChI=1S/C17H21ClO2/c1-4-5-6-7-8-14-16-13(10-9-12(2)20-16)11-15(18)17(14)19-3/h11-12H,4-6,9-10H2,1-3H3
InChIKeyYRQPILFIFDYWKS-UHFFFAOYSA-N
MW292.81 g/mol
LogP4.60
Rot. Bonds3

About 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene

6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene (PubChem CID 15129435) has the molecular formula C17H21ClO2 and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene
PubChem CID15129435
Molecular FormulaC17H21ClO2
Molecular Weight292.81 g/mol
Exact Mass292.12
IUPAC Name6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene
SMILESCCCCC#Cc1c(OC)c(Cl)cc2c1OC(C)CC2
InChIInChI=1S/C17H21ClO2/c1-4-5-6-7-8-14-16-13(10-9-12(2)20-16)11-15(18)17(14)19-3/h11-12H,4-6,9-10H2,1-3H3
InChIKeyYRQPILFIFDYWKS-UHFFFAOYSA-N
XLogP4.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene?
The IUPAC name of 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene (CID 15129435) is 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene.
What is the SMILES notation for 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene?
The canonical SMILES for 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene is CCCCC#Cc1c(OC)c(Cl)cc2c1OC(C)CC2.
What is the InChIKey of 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene?
The InChIKey is YRQPILFIFDYWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClO2/c1-4-5-6-7-8-14-16-13(10-9-12(2)20-16)11-15(18)17(14)19-3/h11-12H,4-6,9-10H2,1-3H3.
What are the key properties of 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene?
6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene has a molecular weight of 292.81 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-hex-1-ynyl-7-methoxy-2-methyl-3,4-dihydro-2H-chromene is sourced from PubChem (CID 15129435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).