2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol

C23H32O3 — CID 90763204

IUPAC2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol
SMILESCOCCCc1cc(CCCOC)cc(C(C)(O)Cc2ccccc2)c1
InChIInChI=1S/C23H32O3/c1-23(24,18-19-9-5-4-6-10-19)22-16-20(11-7-13-25-2)15-21(17-22)12-8-14-26-3/h4-6,9-10,15-17,24H,7-8,11-14,18H2,1-3H3
InChIKeyYVBDJHHLTFJXHP-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.29
Rot. Bonds11

About 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol

2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol (PubChem CID 90763204) has the molecular formula C23H32O3 and a molecular weight of 356.51 g/mol. Its IUPAC name is 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol.

Molecular Properties

Compound Name2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol
PubChem CID90763204
Molecular FormulaC23H32O3
Molecular Weight356.51 g/mol
Exact Mass356.24
IUPAC Name2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol
SMILESCOCCCc1cc(CCCOC)cc(C(C)(O)Cc2ccccc2)c1
InChIInChI=1S/C23H32O3/c1-23(24,18-19-9-5-4-6-10-19)22-16-20(11-7-13-25-2)15-21(17-22)12-8-14-26-3/h4-6,9-10,15-17,24H,7-8,11-14,18H2,1-3H3
InChIKeyYVBDJHHLTFJXHP-UHFFFAOYSA-N
XLogP4.29
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-1-phenylpropan-2-ol
CID 43810200
7-methoxyheptylbenzene
CID 54276867
2-[3-(2-methylpropyl)phenyl]-1-phenylpropan-2-ol
CID 116542343
1,3-ditert-butyl-5-(3-phenylpropyl)benzene
CID 101326636
1-(bromomethyl)-3-(3-methoxypropyl)benzene
CID 59382337
2-benzyl-2-(2-methoxyethyl)propane-1,3-diol
CID 79450709
2-benzyl-2-[2-(3-methoxypropoxy)ethyl]propane-1,3-diol
CID 103185079
1-(4-fluorophenyl)-2-phenylpropan-2-ol
CID 53329553
2-(3-methoxypropylamino)-2-methyl-3-phenylpropanoic acid
CID 71564959
3-[3-(3-methoxypropyl)phenyl]-N-methylpropan-1-amine
CID 143800069
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
2-methoxyethylbenzene
CID 19089

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol?
The IUPAC name of 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol (CID 90763204) is 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol.
What is the SMILES notation for 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol?
The canonical SMILES for 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol is COCCCc1cc(CCCOC)cc(C(C)(O)Cc2ccccc2)c1.
What is the InChIKey of 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol?
The InChIKey is YVBDJHHLTFJXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O3/c1-23(24,18-19-9-5-4-6-10-19)22-16-20(11-7-13-25-2)15-21(17-22)12-8-14-26-3/h4-6,9-10,15-17,24H,7-8,11-14,18H2,1-3H3.
What are the key properties of 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol?
2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol has a molecular weight of 356.51 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(3-methoxypropyl)phenyl]-1-phenylpropan-2-ol is sourced from PubChem (CID 90763204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).