2-(4-tert-butylphenyl)-6-methoxychromen-4-one

C20H20O3 — CID 776400

IUPAC2-(4-tert-butylphenyl)-6-methoxychromen-4-one
SMILESCOc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1
InChIInChI=1S/C20H20O3/c1-20(2,3)14-7-5-13(6-8-14)19-12-17(21)16-11-15(22-4)9-10-18(16)23-19/h5-12H,1-4H3
InChIKeyDPQQYZSHQTTZBC-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.77
Rot. Bonds2

About 2-(4-tert-butylphenyl)-6-methoxychromen-4-one

2-(4-tert-butylphenyl)-6-methoxychromen-4-one (PubChem CID 776400) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-6-methoxychromen-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-6-methoxychromen-4-one
PubChem CID776400
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-(4-tert-butylphenyl)-6-methoxychromen-4-one
SMILESCOc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1
InChIInChI=1S/C20H20O3/c1-20(2,3)14-7-5-13(6-8-14)19-12-17(21)16-11-15(22-4)9-10-18(16)23-19/h5-12H,1-4H3
InChIKeyDPQQYZSHQTTZBC-UHFFFAOYSA-N
XLogP4.77
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
2,2,2-trifluoro-N-[4-(6-methoxy-4-oxochromen-2-yl)phenyl]acetamide
CID 108754281
6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
CID 108773151
6,7-dimethoxy-2-[4-(4-methoxyphenyl)phenyl]chromen-4-one
CID 155754088
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618
4-methoxy-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568776
6-[(4-chlorophenyl)methoxy]-2-(4-methoxyphenyl)chromen-4-one
CID 2239122
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
2-(4-methoxyphenyl)-6-tributylstannylchromen-4-one
CID 11671100

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-6-methoxychromen-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-6-methoxychromen-4-one (CID 776400) is 2-(4-tert-butylphenyl)-6-methoxychromen-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-6-methoxychromen-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-6-methoxychromen-4-one is COc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1.
What is the InChIKey of 2-(4-tert-butylphenyl)-6-methoxychromen-4-one?
The InChIKey is DPQQYZSHQTTZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-20(2,3)14-7-5-13(6-8-14)19-12-17(21)16-11-15(22-4)9-10-18(16)23-19/h5-12H,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-6-methoxychromen-4-one?
2-(4-tert-butylphenyl)-6-methoxychromen-4-one has a molecular weight of 308.38 g/mol, XLogP of 4.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-6-methoxychromen-4-one is sourced from PubChem (CID 776400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).