1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene

C15H15Cl — CID 124596651

IUPAC1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene
SMILESCCc1ccccc1[C@H](Cl)c1ccccc1
InChIInChI=1S/C15H15Cl/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13/h3-11,15H,2H2,1H3/t15-/m1/s1
InChIKeyYJWSBQXSJOQRKG-OAHLLOKOSA-N
MW230.74 g/mol
LogP4.58
Rot. Bonds3

About 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene

1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene (PubChem CID 124596651) has the molecular formula C15H15Cl and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene.

Molecular Properties

Compound Name1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene
PubChem CID124596651
Molecular FormulaC15H15Cl
Molecular Weight230.74 g/mol
Exact Mass230.09
IUPAC Name1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene
SMILESCCc1ccccc1[C@H](Cl)c1ccccc1
InChIInChI=1S/C15H15Cl/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13/h3-11,15H,2H2,1H3/t15-/m1/s1
InChIKeyYJWSBQXSJOQRKG-OAHLLOKOSA-N
XLogP4.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 54.58
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

1-[chloro(phenyl)methyl]-2-ethyl-3-methoxybenzene
CID 150862192
(2S)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554368
(2R)-2-chloro-N-(2-ethylphenyl)-2-phenylacetamide
CID 40554367
1-[chloro(phenyl)methyl]-2,3-dimethylbenzene
CID 13105628
[chloro(phenyl)methyl]benzene;sulfane
CID 139508334
1-ethyl-2-[1-(2-methylphenyl)propyl]benzene
CID 18968346
2-(2-ethylphenyl)-2-fluoroacetic acid
CID 105425429
dichloro-[2-[dichloro(2-phenylpropyl)silyl]-1-(2-ethylphenyl)ethyl]-(2-phenylpropyl)silane
CID 139674204
4-(2-ethylphenyl)-4-hydroxy-3-methylbutanoic acid
CID 62390532
trichloro-[2-(2-ethylphenyl)propyl]silane
CID 69460492
1-ethyl-2,4-bis(1-phenylethyl)benzene
CID 3019817
ethanol;1-(2-ethylphenyl)ethanol
CID 174807968

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene?
The IUPAC name of 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene (CID 124596651) is 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene.
What is the SMILES notation for 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene?
The canonical SMILES for 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene is CCc1ccccc1[C@H](Cl)c1ccccc1.
What is the InChIKey of 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene?
The InChIKey is YJWSBQXSJOQRKG-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H15Cl/c1-2-12-8-6-7-11-14(12)15(16)13-9-4-3-5-10-13/h3-11,15H,2H2,1H3/t15-/m1/s1.
What are the key properties of 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene?
1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene has a molecular weight of 230.74 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-chloro(phenyl)methyl]-2-ethylbenzene is sourced from PubChem (CID 124596651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).