6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene

C20H23Cl — CID 63430990

IUPAC6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(C)c(CC(Cl)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C20H23Cl/c1-14-7-8-15(2)19(11-14)13-20(21)18-10-9-16-5-3-4-6-17(16)12-18/h7-12,20H,3-6,13H2,1-2H3
InChIKeyICORDEFRUUXYOS-UHFFFAOYSA-N
MW298.86 g/mol
LogP5.70
Rot. Bonds3

About 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene

6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 63430990) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID63430990
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(C)c(CC(Cl)c2ccc3c(c2)CCCC3)c1
InChIInChI=1S/C20H23Cl/c1-14-7-8-15(2)19(11-14)13-20(21)18-10-9-16-5-3-4-6-17(16)12-18/h7-12,20H,3-6,13H2,1-2H3
InChIKeyICORDEFRUUXYOS-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[1-chloro-2-(3,4-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63431085
2-[2-chloro-2-(3-fluoro-4-methylphenyl)ethyl]-1,4-dimethylbenzene
CID 55224644
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
2-[2-chloro-2-(4-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 55224453
2-[2-chloro-2-(3-iodophenyl)ethyl]-1,4-dimethylbenzene
CID 63544772
(2,5-dimethylphenyl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 43093702
5-(1-chloropropyl)-2,3-dihydro-1H-indene
CID 61086419
5-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2-methoxy-1,3-dimethylbenzene
CID 83044402
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-3,5-dimethoxybenzene
CID 63543209
1-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 63430271
2-(4-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43152415
2-(2-methylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 43100360

Frequently Asked Questions

What is the IUPAC name of 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 63430990) is 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene is Cc1ccc(C)c(CC(Cl)c2ccc3c(c2)CCCC3)c1.
What is the InChIKey of 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ICORDEFRUUXYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c1-14-7-8-15(2)19(11-14)13-20(21)18-10-9-16-5-3-4-6-17(16)12-18/h7-12,20H,3-6,13H2,1-2H3.
What are the key properties of 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 298.86 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-chloro-2-(2,5-dimethylphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63430990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).