(E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol

C32H40O3 — CID 69492730

IUPAC(E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol
SMILESCCCCCCCCC/C=C(/O)C(c1ccccc1)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C32H40O3/c1-4-5-6-7-8-9-10-14-25-31(33)32(26-19-12-11-13-20-26,27-21-15-17-23-29(27)34-2)28-22-16-18-24-30(28)35-3/h11-13,15-25,33H,4-10,14H2,1-3H3/b31-25+
InChIKeyRBOIURQEZLIQHD-QCKNELIISA-N
MW472.67 g/mol
LogP8.62
Rot. Bonds14

About (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol

(E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol (PubChem CID 69492730) has the molecular formula C32H40O3 and a molecular weight of 472.67 g/mol. Its IUPAC name is (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol.

Molecular Properties

Compound Name(E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol
PubChem CID69492730
Molecular FormulaC32H40O3
Molecular Weight472.67 g/mol
Exact Mass472.30
IUPAC Name(E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol
SMILESCCCCCCCCC/C=C(/O)C(c1ccccc1)(c1ccccc1OC)c1ccccc1OC
InChIInChI=1S/C32H40O3/c1-4-5-6-7-8-9-10-14-25-31(33)32(26-19-12-11-13-20-26,27-21-15-17-23-29(27)34-2)28-22-16-18-24-30(28)35-3/h11-13,15-25,33H,4-10,14H2,1-3H3/b31-25+
InChIKeyRBOIURQEZLIQHD-QCKNELIISA-N
XLogP8.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.67
LogP ≤ 58.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol?
The IUPAC name of (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol (CID 69492730) is (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol.
What is the SMILES notation for (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol?
The canonical SMILES for (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol is CCCCCCCCC/C=C(/O)C(c1ccccc1)(c1ccccc1OC)c1ccccc1OC.
What is the InChIKey of (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol?
The InChIKey is RBOIURQEZLIQHD-QCKNELIISA-N. The full InChI is InChI=1S/C32H40O3/c1-4-5-6-7-8-9-10-14-25-31(33)32(26-19-12-11-13-20-26,27-21-15-17-23-29(27)34-2)28-22-16-18-24-30(28)35-3/h11-13,15-25,33H,4-10,14H2,1-3H3/b31-25+.
What are the key properties of (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol?
(E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol has a molecular weight of 472.67 g/mol, XLogP of 8.62, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-bis(2-methoxyphenyl)-1-phenyldodec-2-en-2-ol is sourced from PubChem (CID 69492730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).