4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol

C27H24O4 — CID 134419112

IUPAC4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol
SMILESCC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2OCc2ccccc2)=C3)O1
InChIInChI=1S/C27H24O4/c1-27(2)13-12-23-24(31-27)11-8-19-14-20(17-30-26(19)23)22-10-9-21(28)15-25(22)29-16-18-6-4-3-5-7-18/h3-15,28H,16-17H2,1-2H3
InChIKeyVMGRTMNIQGONOS-UHFFFAOYSA-N
MW412.49 g/mol
LogP6.09
Rot. Bonds4

About 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol

4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol (PubChem CID 134419112) has the molecular formula C27H24O4 and a molecular weight of 412.49 g/mol. Its IUPAC name is 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol.

Molecular Properties

Compound Name4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol
PubChem CID134419112
Molecular FormulaC27H24O4
Molecular Weight412.49 g/mol
Exact Mass412.17
IUPAC Name4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol
SMILESCC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2OCc2ccccc2)=C3)O1
InChIInChI=1S/C27H24O4/c1-27(2)13-12-23-24(31-27)11-8-19-14-20(17-30-26(19)23)22-10-9-21(28)15-25(22)29-16-18-6-4-3-5-7-18/h3-15,28H,16-17H2,1-2H3
InChIKeyVMGRTMNIQGONOS-UHFFFAOYSA-N
XLogP6.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol?
The IUPAC name of 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol (CID 134419112) is 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol.
What is the SMILES notation for 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol?
The canonical SMILES for 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol is CC1(C)C=Cc2c(ccc3c2OCC(c2ccc(O)cc2OCc2ccccc2)=C3)O1.
What is the InChIKey of 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol?
The InChIKey is VMGRTMNIQGONOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24O4/c1-27(2)13-12-23-24(31-27)11-8-19-14-20(17-30-26(19)23)22-10-9-21(28)15-25(22)29-16-18-6-4-3-5-7-18/h3-15,28H,16-17H2,1-2H3.
What are the key properties of 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol?
4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol has a molecular weight of 412.49 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8,8-dimethyl-2H-pyrano[2,3-f]chromen-3-yl)-3-phenylmethoxyphenol is sourced from PubChem (CID 134419112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).