1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene

C16H15Cl — CID 101382283

IUPAC1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene
SMILESCc1ccccc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl/c1-11-4-2-3-5-14(11)16-10-15(16)12-6-8-13(17)9-7-12/h2-9,15-16H,10H2,1H3/t15-,16+/m1/s1
InChIKeyKSKQKQQYADPROO-CVEARBPZSA-N
MW242.75 g/mol
LogP4.92
Rot. Bonds2

About 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene

1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene (PubChem CID 101382283) has the molecular formula C16H15Cl and a molecular weight of 242.75 g/mol. Its IUPAC name is 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene
PubChem CID101382283
Molecular FormulaC16H15Cl
Molecular Weight242.75 g/mol
Exact Mass242.09
IUPAC Name1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene
SMILESCc1ccccc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C16H15Cl/c1-11-4-2-3-5-14(11)16-10-15(16)12-6-8-13(17)9-7-12/h2-9,15-16H,10H2,1H3/t15-,16+/m1/s1
InChIKeyKSKQKQQYADPROO-CVEARBPZSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-(2-phenylcyclopropyl)benzene
CID 5162571
1-[(1R,2R)-2-tert-butylcyclopropyl]-2-methylbenzene
CID 59774098
2-[2-(4-chlorophenyl)cyclopropyl]-5-methyl-1,3,4-oxadiazole
CID 19550396
2-(2-methylphenyl)cyclopropane-1-sulfonyl chloride
CID 82368514
4-chloro-N-[(1R,2S,3R,5R)-2,3-dihydroxy-5-(2-methylphenyl)cyclopentyl]benzenesulfonamide
CID 71694018
trans-(1R,2S)-2-(4-chlorophenyl)cyclopropan-1-amine
CID 39236206
(3aS,5S,9bR)-5-(4-chlorophenyl)-3-methyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole
CID 67894886
(1S,4R)-4-(4-chlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 13408706
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
(1R)-1-[(1S,2S)-2-(2-methylphenyl)cyclopropyl]ethanamine
CID 28912263
5-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635417
5-(4-chlorophenyl)-7-(2-methylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 2948683

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene?
The IUPAC name of 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene (CID 101382283) is 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene.
What is the SMILES notation for 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene?
The canonical SMILES for 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene is Cc1ccccc1[C@@H]1C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene?
The InChIKey is KSKQKQQYADPROO-CVEARBPZSA-N. The full InChI is InChI=1S/C16H15Cl/c1-11-4-2-3-5-14(11)16-10-15(16)12-6-8-13(17)9-7-12/h2-9,15-16H,10H2,1H3/t15-,16+/m1/s1.
What are the key properties of 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene?
1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene has a molecular weight of 242.75 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(1S,2R)-2-(2-methylphenyl)cyclopropyl]benzene is sourced from PubChem (CID 101382283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).