ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid

C32H40O2 — CID 143366307

About ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid

ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid (PubChem CID 143366307) has the molecular formula C32H40O2 and a molecular weight of 456.67 g/mol. Its IUPAC name is ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid.

Molecular Properties

• Compound Name: ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
• PubChem CID: 143366307
• Molecular Formula: C32H40O2
• Molecular Weight: 456.67 g/mol
• Exact Mass: 456.30
• IUPAC Name: ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
• SMILES: C/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)O)cc3)c(C)c2)cc1C.CC
• InChI: InChI=1S/C30H34O2.C2H6/c1-6-9-24-14-15-26(18-21(24)4)30(7-2,8-3)27-16-17-28(22(5)19-27)25-12-10-23(11-13-25)20-29(31)32;1-2/h6,9-19H,7-8,20H2,1-5H3,(H,31,32);1-2H3/b9-6+
• InChIKey: ZFWWJEPWSKTXGD-MLBSPLJJSA-N
• XLogP: 8.76
• TPSA: 37.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.67
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid?

The IUPAC name of ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid (CID 143366307) is ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid.

What is the SMILES notation for ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid?

The canonical SMILES for ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid is C/C=C/c1ccc(C(CC)(CC)c2ccc(-c3ccc(CC(=O)O)cc3)c(C)c2)cc1C.CC.

What is the InChIKey of ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid?

The InChIKey is ZFWWJEPWSKTXGD-MLBSPLJJSA-N. The full InChI is InChI=1S/C30H34O2.C2H6/c1-6-9-24-14-15-26(18-21(24)4)30(7-2,8-3)27-16-17-28(22(5)19-27)25-12-10-23(11-13-25)20-29(31)32;1-2/h6,9-19H,7-8,20H2,1-5H3,(H,31,32);1-2H3/b9-6+;.

What are the key properties of ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid?

ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid has a molecular weight of 456.67 g/mol, XLogP of 8.76, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[4-[2-methyl-4-[3-[3-methyl-4-[(E)-prop-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid is sourced from PubChem (CID 143366307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).