CID 59039626

C23H22O — CID 59039626

IUPAC—
SMILES[CH]Oc1ccc(C(C)c2ccccc2)cc1C(C)c1ccccc1
InChIInChI=1S/C23H22O/c1-17(19-10-6-4-7-11-19)21-14-15-23(24-3)22(16-21)18(2)20-12-8-5-9-13-20/h3-18H,1-2H3
InChIKeyVDSKEWJYWARKFI-UHFFFAOYSA-N
MW314.43 g/mol
LogP6.04
Rot. Bonds5

About CID 59039626

CID 59039626 (PubChem CID 59039626) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol.

Molecular Properties

Compound NameCID 59039626
PubChem CID59039626
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name—
SMILES[CH]Oc1ccc(C(C)c2ccccc2)cc1C(C)c1ccccc1
InChIInChI=1S/C23H22O/c1-17(19-10-6-4-7-11-19)21-14-15-23(24-3)22(16-21)18(2)20-12-8-5-9-13-20/h3-18H,1-2H3
InChIKeyVDSKEWJYWARKFI-UHFFFAOYSA-N
XLogP6.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(1-phenylethyl)-2-[2-(1-phenylethyl)phenoxy]benzene
CID 69309160
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CID 158802714
ethane;methane;1-phenylethylbenzene
CID 143105414
1,2,3-tris(1-phenylethyl)-4-[2,3,4-tris(1-phenylethyl)phenoxy]benzene
CID 69457380
5-(1-phenylethyl)-2-[1-[4-(1-phenylethyl)phenyl]ethoxy]benzoic acid
CID 151769590
2-methyl-1,3-bis(1-phenylethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of CID 59039626?
The IUPAC name of CID 59039626 (CID 59039626) is not available.
What is the SMILES notation for CID 59039626?
The canonical SMILES for CID 59039626 is [CH]Oc1ccc(C(C)c2ccccc2)cc1C(C)c1ccccc1.
What is the InChIKey of CID 59039626?
The InChIKey is VDSKEWJYWARKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-17(19-10-6-4-7-11-19)21-14-15-23(24-3)22(16-21)18(2)20-12-8-5-9-13-20/h3-18H,1-2H3.
What are the key properties of CID 59039626?
CID 59039626 has a molecular weight of 314.43 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59039626 is sourced from PubChem (CID 59039626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).