1,3-bis(3-cyclopentylphenyl)-2-methylbenzene

C29H32 — CID 162497484

IUPAC1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
SMILESCc1c(-c2cccc(C3CCCC3)c2)cccc1-c1cccc(C2CCCC2)c1
InChIInChI=1S/C29H32/c1-21-28(26-15-6-13-24(19-26)22-9-2-3-10-22)17-8-18-29(21)27-16-7-14-25(20-27)23-11-4-5-12-23/h6-8,13-20,22-23H,2-5,9-12H2,1H3
InChIKeyPASNGNAEKNWWBD-UHFFFAOYSA-N
MW380.58 g/mol
LogP8.64
Rot. Bonds4

About 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene

1,3-bis(3-cyclopentylphenyl)-2-methylbenzene (PubChem CID 162497484) has the molecular formula C29H32 and a molecular weight of 380.58 g/mol. Its IUPAC name is 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene.

Molecular Properties

Compound Name1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
PubChem CID162497484
Molecular FormulaC29H32
Molecular Weight380.58 g/mol
Exact Mass380.25
IUPAC Name1,3-bis(3-cyclopentylphenyl)-2-methylbenzene
SMILESCc1c(-c2cccc(C3CCCC3)c2)cccc1-c1cccc(C2CCCC2)c1
InChIInChI=1S/C29H32/c1-21-28(26-15-6-13-24(19-26)22-9-2-3-10-22)17-8-18-29(21)27-16-7-14-25(20-27)23-11-4-5-12-23/h6-8,13-20,22-23H,2-5,9-12H2,1H3
InChIKeyPASNGNAEKNWWBD-UHFFFAOYSA-N
XLogP8.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.58
LogP ≤ 58.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 114605041
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CID 174307439
CID 173192859
CID 173192859
4-(3-cyclopentylphenyl)-1,2-oxazol-5-amine
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CID 91429173

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene?
The IUPAC name of 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene (CID 162497484) is 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene.
What is the SMILES notation for 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene?
The canonical SMILES for 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene is Cc1c(-c2cccc(C3CCCC3)c2)cccc1-c1cccc(C2CCCC2)c1.
What is the InChIKey of 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene?
The InChIKey is PASNGNAEKNWWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32/c1-21-28(26-15-6-13-24(19-26)22-9-2-3-10-22)17-8-18-29(21)27-16-7-14-25(20-27)23-11-4-5-12-23/h6-8,13-20,22-23H,2-5,9-12H2,1H3.
What are the key properties of 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene?
1,3-bis(3-cyclopentylphenyl)-2-methylbenzene has a molecular weight of 380.58 g/mol, XLogP of 8.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-cyclopentylphenyl)-2-methylbenzene is sourced from PubChem (CID 162497484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).