[3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol

C23H28O4 — CID 16758927

IUPAC[3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESCOc1ccc(OC2C=CC(c3ccccc3)OC2CO)c(C(C)(C)C)c1
InChIInChI=1S/C23H28O4/c1-23(2,3)18-14-17(25-4)10-11-20(18)27-21-13-12-19(26-22(21)15-24)16-8-6-5-7-9-16/h5-14,19,21-22,24H,15H2,1-4H3
InChIKeyLVONHWRLBWQDCP-UHFFFAOYSA-N
MW368.47 g/mol
LogP4.43
Rot. Bonds5

About [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol

[3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol (PubChem CID 16758927) has the molecular formula C23H28O4 and a molecular weight of 368.47 g/mol. Its IUPAC name is [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol.

Molecular Properties

Compound Name[3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
PubChem CID16758927
Molecular FormulaC23H28O4
Molecular Weight368.47 g/mol
Exact Mass368.20
IUPAC Name[3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol
SMILESCOc1ccc(OC2C=CC(c3ccccc3)OC2CO)c(C(C)(C)C)c1
InChIInChI=1S/C23H28O4/c1-23(2,3)18-14-17(25-4)10-11-20(18)27-21-13-12-19(26-22(21)15-24)16-8-6-5-7-9-16/h5-14,19,21-22,24H,15H2,1-4H3
InChIKeyLVONHWRLBWQDCP-UHFFFAOYSA-N
XLogP4.43
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The IUPAC name of [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol (CID 16758927) is [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol.
What is the SMILES notation for [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The canonical SMILES for [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol is COc1ccc(OC2C=CC(c3ccccc3)OC2CO)c(C(C)(C)C)c1.
What is the InChIKey of [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
The InChIKey is LVONHWRLBWQDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O4/c1-23(2,3)18-14-17(25-4)10-11-20(18)27-21-13-12-19(26-22(21)15-24)16-8-6-5-7-9-16/h5-14,19,21-22,24H,15H2,1-4H3.
What are the key properties of [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol?
[3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol has a molecular weight of 368.47 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-tert-butyl-4-methoxyphenoxy)-6-phenyl-3,6-dihydro-2H-pyran-2-yl]methanol is sourced from PubChem (CID 16758927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).