6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene

C13H13Cl — CID 60800052

IUPAC6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene
SMILESClCC#Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H13Cl/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h7-8,10H,1-2,5-6,9H2
InChIKeyZHDOIPADYUUYQD-UHFFFAOYSA-N
MW204.70 g/mol
LogP3.16
Rot. Bonds

About 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene

6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 60800052) has the molecular formula C13H13Cl and a molecular weight of 204.70 g/mol. Its IUPAC name is 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID60800052
Molecular FormulaC13H13Cl
Molecular Weight204.70 g/mol
Exact Mass204.07
IUPAC Name6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene
SMILESClCC#Cc1ccc2c(c1)CCCC2
InChIInChI=1S/C13H13Cl/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h7-8,10H,1-2,5-6,9H2
InChIKeyZHDOIPADYUUYQD-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-(5,6,7,8-tetrahydronaphthalen-2-yl)but-3-yn-1-amine
CID 116641482
5-[2-[4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 59146823
1-(5,6,7,8-tetrahydronaphthalen-2-yl)pent-1-yn-3-amine
CID 106226262
3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439
3-(chloromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 11804968
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
ethyl 3-(2,3-dihydro-1H-inden-5-yl)prop-2-ynoate
CID 176935237
5-[2-[2-cyclopropyl-4-[2-(2,3-dihydro-1H-inden-5-yl)ethynyl]phenyl]ethynyl]-2,3-dihydro-1H-indene
CID 143655916
2-chloro-4-(3-chloroprop-1-ynyl)-1-methoxybenzene
CID 60801453
3-(3-chloroprop-1-ynyl)phenol
CID 91875199
6-(3-sulfanylprop-1-ynyl)-3,4-dihydro-1H-naphthalen-2-one
CID 169487268
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene (CID 60800052) is 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene is ClCC#Cc1ccc2c(c1)CCCC2.
What is the InChIKey of 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZHDOIPADYUUYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl/c14-9-3-4-11-7-8-12-5-1-2-6-13(12)10-11/h7-8,10H,1-2,5-6,9H2.
What are the key properties of 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene?
6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 204.70 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloroprop-1-ynyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 60800052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).