1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene

C27H23Cl — CID 58699453

IUPAC1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
SMILESC[C@H](Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H23Cl/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-18,20H,19H2,1H3/t20-/m1/s1
InChIKeyASNRLQAMUIJXDC-HXUWFJFHSA-N
MW382.93 g/mol
LogP8.02
Rot. Bonds5

About 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene

1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene (PubChem CID 58699453) has the molecular formula C27H23Cl and a molecular weight of 382.93 g/mol. Its IUPAC name is 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
PubChem CID58699453
Molecular FormulaC27H23Cl
Molecular Weight382.93 g/mol
Exact Mass382.15
IUPAC Name1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
SMILESC[C@H](Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C27H23Cl/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-18,20H,19H2,1H3/t20-/m1/s1
InChIKeyASNRLQAMUIJXDC-HXUWFJFHSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.93
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
CID 58698493
azane;1-chloro-4-(2-phenylpropyl)benzene
CID 67712446
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
1,4-bis(2-phenylpropyl)benzene
CID 19376086
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
1-chloro-4-[3-(4-methylphenyl)-2-phenylpropyl]benzene
CID 91287342
1-(4-chlorophenyl)-N-[(4-phenylphenyl)methyl]propan-2-amine
CID 67641931
2,6-difluoro-4-[4-[(2S)-2-phenylpropyl]phenyl]benzonitrile
CID 170842069
1-fluoro-4-[4-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]phenyl]benzene
CID 21052442
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene (CID 58699453) is 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene is C[C@H](Cc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene?
The InChIKey is ASNRLQAMUIJXDC-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H23Cl/c1-20(22-5-3-2-4-6-22)19-21-7-9-23(10-8-21)24-11-13-25(14-12-24)26-15-17-27(28)18-16-26/h2-18,20H,19H2,1H3/t20-/m1/s1.
What are the key properties of 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene?
1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene has a molecular weight of 382.93 g/mol, XLogP of 8.02, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene is sourced from PubChem (CID 58699453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).