[2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol

C21H26O2 — CID 134193100

IUPAC[2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol
SMILESCCCc1ccc(-c2ccc(CO)c(CCCC3CO3)c2)cc1
InChIInChI=1S/C21H26O2/c1-2-4-16-7-9-17(10-8-16)19-11-12-20(14-22)18(13-19)5-3-6-21-15-23-21/h7-13,21-22H,2-6,14-15H2,1H3
InChIKeyQNJZQYYSJQIVJN-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.52
Rot. Bonds8

About [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol

[2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol (PubChem CID 134193100) has the molecular formula C21H26O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol.

Molecular Properties

Compound Name[2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol
PubChem CID134193100
Molecular FormulaC21H26O2
Molecular Weight310.44 g/mol
Exact Mass310.19
IUPAC Name[2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol
SMILESCCCc1ccc(-c2ccc(CO)c(CCCC3CO3)c2)cc1
InChIInChI=1S/C21H26O2/c1-2-4-16-7-9-17(10-8-16)19-11-12-20(14-22)18(13-19)5-3-6-21-15-23-21/h7-13,21-22H,2-6,14-15H2,1H3
InChIKeyQNJZQYYSJQIVJN-UHFFFAOYSA-N
XLogP4.52
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol?
The IUPAC name of [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol (CID 134193100) is [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol.
What is the SMILES notation for [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol?
The canonical SMILES for [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol is CCCc1ccc(-c2ccc(CO)c(CCCC3CO3)c2)cc1.
What is the InChIKey of [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol?
The InChIKey is QNJZQYYSJQIVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O2/c1-2-4-16-7-9-17(10-8-16)19-11-12-20(14-22)18(13-19)5-3-6-21-15-23-21/h7-13,21-22H,2-6,14-15H2,1H3.
What are the key properties of [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol?
[2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol has a molecular weight of 310.44 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(oxiran-2-yl)propyl]-4-(4-propylphenyl)phenyl]methanol is sourced from PubChem (CID 134193100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).