1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene

C26H27Cl — CID 173253873

IUPAC1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene
SMILESCC(C)c1c(-c2ccc(Cl)cc2)cccc1C(Cc1ccccc1)C1CC1
InChIInChI=1S/C26H27Cl/c1-18(2)26-23(20-13-15-22(27)16-14-20)9-6-10-24(26)25(21-11-12-21)17-19-7-4-3-5-8-19/h3-10,13-16,18,21,25H,11-12,17H2,1-2H3
InChIKeyITLIBDXXDNZSNI-UHFFFAOYSA-N
MW374.96 g/mol
LogP7.87
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene

1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene (PubChem CID 173253873) has the molecular formula C26H27Cl and a molecular weight of 374.96 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene
PubChem CID173253873
Molecular FormulaC26H27Cl
Molecular Weight374.96 g/mol
Exact Mass374.18
IUPAC Name1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene
SMILESCC(C)c1c(-c2ccc(Cl)cc2)cccc1C(Cc1ccccc1)C1CC1
InChIInChI=1S/C26H27Cl/c1-18(2)26-23(20-13-15-22(27)16-14-20)9-6-10-24(26)25(21-11-12-21)17-19-7-4-3-5-8-19/h3-10,13-16,18,21,25H,11-12,17H2,1-2H3
InChIKeyITLIBDXXDNZSNI-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.96
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene?
The IUPAC name of 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene (CID 173253873) is 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene?
The canonical SMILES for 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene is CC(C)c1c(-c2ccc(Cl)cc2)cccc1C(Cc1ccccc1)C1CC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene?
The InChIKey is ITLIBDXXDNZSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl/c1-18(2)26-23(20-13-15-22(27)16-14-20)9-6-10-24(26)25(21-11-12-21)17-19-7-4-3-5-8-19/h3-10,13-16,18,21,25H,11-12,17H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene?
1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene has a molecular weight of 374.96 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(1-cyclopropyl-2-phenylethyl)-2-propan-2-ylbenzene is sourced from PubChem (CID 173253873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).