5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene

C12H15ClO — CID 11310357

IUPAC5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESClCCOc1cccc2c1CCCC2
InChIInChI=1S/C12H15ClO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7H,1-2,4,6,8-9H2
InChIKeyGZMPZSMDKRBPFK-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.18
Rot. Bonds3

About 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene

5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 11310357) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID11310357
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESClCCOc1cccc2c1CCCC2
InChIInChI=1S/C12H15ClO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7H,1-2,4,6,8-9H2
InChIKeyGZMPZSMDKRBPFK-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.18
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

5-butoxy-1,2,3,4-tetrahydronaphthalene
CID 57014002
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]aniline
CID 82092333
2-methyl-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentanoic acid
CID 112511655
4-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-one
CID 39349304
1-amino-5-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pentan-3-ol
CID 112508761
4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethylsulfanyl]aniline
CID 39422790
2-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-3,4-dihydro-1H-isoquinoline
CID 141020951
1-[3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propyl]pyrrolidin-2-one
CID 94698119
1-cyclohexyl-3-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]urea
CID 112974981
4-methoxy-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 153201426
5-[2-(dimethylsulfamoylamino)ethoxy]-1,2,3,4-tetrahydronaphthalene
CID 113101703
N-methyl-4-(5,6,7,8-tetrahydronaphthalen-1-yloxy)butanehydrazide
CID 116820578

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene (CID 11310357) is 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene is ClCCOc1cccc2c1CCCC2.
What is the InChIKey of 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GZMPZSMDKRBPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c13-8-9-14-12-7-3-5-10-4-1-2-6-11(10)12/h3,5,7H,1-2,4,6,8-9H2.
What are the key properties of 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene?
5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 210.70 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 11310357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).