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

C29H27Cl — CID 58698493

IUPAC1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
SMILESC[C@@H](Cc1ccc(CCc2ccc(-c3ccc(Cl)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H27Cl/c1-22(26-5-3-2-4-6-26)21-25-11-9-23(10-12-25)7-8-24-13-15-27(16-14-24)28-17-19-29(30)20-18-28/h2-6,9-20,22H,7-8,21H2,1H3/t22-/m0/s1
InChIKeyTZQVXZMKWDQXFE-QFIPXVFZSA-N
MW410.99 g/mol
LogP8.14
Rot. Bonds7

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

1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene (PubChem CID 58698493) has the molecular formula C29H27Cl and a molecular weight of 410.99 g/mol. Its IUPAC name is 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
PubChem CID58698493
Molecular FormulaC29H27Cl
Molecular Weight410.99 g/mol
Exact Mass410.18
IUPAC Name1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene
SMILESC[C@@H](Cc1ccc(CCc2ccc(-c3ccc(Cl)cc3)cc2)cc1)c1ccccc1
InChIInChI=1S/C29H27Cl/c1-22(26-5-3-2-4-6-26)21-25-11-9-23(10-12-25)7-8-24-13-15-27(16-14-24)28-17-19-29(30)20-18-28/h2-6,9-20,22H,7-8,21H2,1H3/t22-/m0/s1
InChIKeyTZQVXZMKWDQXFE-QFIPXVFZSA-N
XLogP8.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.99
LogP ≤ 58.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[4-[4-[(2R)-2-phenylpropyl]phenyl]phenyl]benzene
CID 58699453
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
1-chloro-4-[(3S)-3-phenylbutyl]benzene
CID 174392124
2-ethoxy-1,3-difluoro-5-[4-[2-[4-(2-phenylpropyl)phenyl]ethyl]phenyl]benzene
CID 21052743
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1-[(E)-2-[4-(2-phenylpropyl)phenyl]ethenyl]-4-(4-propylphenyl)benzene
CID 21052564
2-fluoro-4-[2-[4-[4-[(2S)-2-phenylpropyl]phenyl]phenyl]ethyl]benzonitrile
CID 58699248
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]cyclohexyl]ethyl]phenyl]benzene
CID 58699463
ethane;1-phenylpropan-2-ylbenzene
CID 142097323
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 154543676

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene?
The IUPAC name of 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene (CID 58698493) is 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene.
What is the SMILES notation for 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene?
The canonical SMILES for 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene is C[C@@H](Cc1ccc(CCc2ccc(-c3ccc(Cl)cc3)cc2)cc1)c1ccccc1.
What is the InChIKey of 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene?
The InChIKey is TZQVXZMKWDQXFE-QFIPXVFZSA-N. The full InChI is InChI=1S/C29H27Cl/c1-22(26-5-3-2-4-6-26)21-25-11-9-23(10-12-25)7-8-24-13-15-27(16-14-24)28-17-19-29(30)20-18-28/h2-6,9-20,22H,7-8,21H2,1H3/t22-/m0/s1.
What are the key properties of 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene?
1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene has a molecular weight of 410.99 g/mol, XLogP of 8.14, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-[2-[4-[(2S)-2-phenylpropyl]phenyl]ethyl]phenyl]benzene is sourced from PubChem (CID 58698493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).