7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene

C21H25Cl — CID 130382547

IUPAC7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene
SMILESCCC1(CCc2ccccc2C)CCCc2cc(Cl)ccc21
InChIInChI=1S/C21H25Cl/c1-3-21(14-12-17-8-5-4-7-16(17)2)13-6-9-18-15-19(22)10-11-20(18)21/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3
InChIKeyRKYRGCUZFCTZKZ-UHFFFAOYSA-N
MW312.88 g/mol
LogP6.27
Rot. Bonds4

About 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene

7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene (PubChem CID 130382547) has the molecular formula C21H25Cl and a molecular weight of 312.88 g/mol. Its IUPAC name is 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene.

Molecular Properties

Compound Name7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene
PubChem CID130382547
Molecular FormulaC21H25Cl
Molecular Weight312.88 g/mol
Exact Mass312.16
IUPAC Name7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene
SMILESCCC1(CCc2ccccc2C)CCCc2cc(Cl)ccc21
InChIInChI=1S/C21H25Cl/c1-3-21(14-12-17-8-5-4-7-16(17)2)13-6-9-18-15-19(22)10-11-20(18)21/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3
InChIKeyRKYRGCUZFCTZKZ-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.88
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene?
The IUPAC name of 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene (CID 130382547) is 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene.
What is the SMILES notation for 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene?
The canonical SMILES for 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene is CCC1(CCc2ccccc2C)CCCc2cc(Cl)ccc21.
What is the InChIKey of 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene?
The InChIKey is RKYRGCUZFCTZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl/c1-3-21(14-12-17-8-5-4-7-16(17)2)13-6-9-18-15-19(22)10-11-20(18)21/h4-5,7-8,10-11,15H,3,6,9,12-14H2,1-2H3.
What are the key properties of 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene?
7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene has a molecular weight of 312.88 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-ethyl-4-[2-(2-methylphenyl)ethyl]-2,3-dihydro-1H-naphthalene is sourced from PubChem (CID 130382547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).