2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene

C21H21Cl — CID 153192882

IUPAC2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene
SMILESCCC[C@H](c1ccc2ccccc2c1)[C@@H](Cl)c1ccccc1
InChIInChI=1S/C21H21Cl/c1-2-8-20(21(22)17-10-4-3-5-11-17)19-14-13-16-9-6-7-12-18(16)15-19/h3-7,9-15,20-21H,2,8H2,1H3/t20-,21+/m1/s1
InChIKeyWIJWDGWOHDJYEX-RTWAWAEBSA-N
MW308.85 g/mol
LogP6.70
Rot. Bonds5

About 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene

2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene (PubChem CID 153192882) has the molecular formula C21H21Cl and a molecular weight of 308.85 g/mol. Its IUPAC name is 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene.

Molecular Properties

Compound Name2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene
PubChem CID153192882
Molecular FormulaC21H21Cl
Molecular Weight308.85 g/mol
Exact Mass308.13
IUPAC Name2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene
SMILESCCC[C@H](c1ccc2ccccc2c1)[C@@H](Cl)c1ccccc1
InChIInChI=1S/C21H21Cl/c1-2-8-20(21(22)17-10-4-3-5-11-17)19-14-13-16-9-6-7-12-18(16)15-19/h3-7,9-15,20-21H,2,8H2,1H3/t20-,21+/m1/s1
InChIKeyWIJWDGWOHDJYEX-RTWAWAEBSA-N
XLogP6.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.85
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene?
The IUPAC name of 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene (CID 153192882) is 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene.
What is the SMILES notation for 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene?
The canonical SMILES for 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene is CCC[C@H](c1ccc2ccccc2c1)[C@@H](Cl)c1ccccc1.
What is the InChIKey of 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene?
The InChIKey is WIJWDGWOHDJYEX-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H21Cl/c1-2-8-20(21(22)17-10-4-3-5-11-17)19-14-13-16-9-6-7-12-18(16)15-19/h3-7,9-15,20-21H,2,8H2,1H3/t20-,21+/m1/s1.
What are the key properties of 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene?
2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene has a molecular weight of 308.85 g/mol, XLogP of 6.70, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-1-chloro-1-phenylpentan-2-yl]naphthalene is sourced from PubChem (CID 153192882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).