6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one

C26H24O3 — CID 3957798

IUPAC6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one
SMILESCC(C)(C)c1cc2c(=O)c(-c3ccccc3)coc2cc1OCc1ccccc1
InChIInChI=1S/C26H24O3/c1-26(2,3)22-14-20-23(15-24(22)28-16-18-10-6-4-7-11-18)29-17-21(25(20)27)19-12-8-5-9-13-19/h4-15,17H,16H2,1-3H3
InChIKeyYJJMWIVXMHRXKM-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.34
Rot. Bonds4

About 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one

6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one (PubChem CID 3957798) has the molecular formula C26H24O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one
PubChem CID3957798
Molecular FormulaC26H24O3
Molecular Weight384.48 g/mol
Exact Mass384.17
IUPAC Name6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one
SMILESCC(C)(C)c1cc2c(=O)c(-c3ccccc3)coc2cc1OCc1ccccc1
InChIInChI=1S/C26H24O3/c1-26(2,3)22-14-20-23(15-24(22)28-16-18-10-6-4-7-11-18)29-17-21(25(20)27)19-12-8-5-9-13-19/h4-15,17H,16H2,1-3H3
InChIKeyYJJMWIVXMHRXKM-UHFFFAOYSA-N
XLogP6.34
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one?
The IUPAC name of 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one (CID 3957798) is 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one?
The canonical SMILES for 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one is CC(C)(C)c1cc2c(=O)c(-c3ccccc3)coc2cc1OCc1ccccc1.
What is the InChIKey of 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one?
The InChIKey is YJJMWIVXMHRXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O3/c1-26(2,3)22-14-20-23(15-24(22)28-16-18-10-6-4-7-11-18)29-17-21(25(20)27)19-12-8-5-9-13-19/h4-15,17H,16H2,1-3H3.
What are the key properties of 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one?
6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one has a molecular weight of 384.48 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-phenyl-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 3957798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).