2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one

C23H18O5 — CID 139217483

IUPAC2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccc(OCc4ccccc4)cc3o2)cc1O
InChIInChI=1S/C23H18O5/c1-26-21-10-7-16(11-20(21)25)22-13-19(24)18-9-8-17(12-23(18)28-22)27-14-15-5-3-2-4-6-15/h2-13,25H,14H2,1H3
InChIKeyWEWUNPFBARRTLW-UHFFFAOYSA-N
MW374.39 g/mol
LogP4.75
Rot. Bonds5

About 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one

2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one (PubChem CID 139217483) has the molecular formula C23H18O5 and a molecular weight of 374.39 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
PubChem CID139217483
Molecular FormulaC23H18O5
Molecular Weight374.39 g/mol
Exact Mass374.12
IUPAC Name2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one
SMILESCOc1ccc(-c2cc(=O)c3ccc(OCc4ccccc4)cc3o2)cc1O
InChIInChI=1S/C23H18O5/c1-26-21-10-7-16(11-20(21)25)22-13-19(24)18-9-8-17(12-23(18)28-22)27-14-15-5-3-2-4-6-15/h2-13,25H,14H2,1H3
InChIKeyWEWUNPFBARRTLW-UHFFFAOYSA-N
XLogP4.75
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one;5-methyl-2-(4-methyl-3-phenylmethoxyphenyl)-7-phenylmethoxychromen-4-one
CID 86755123
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885
7-(3-bromopropoxy)-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 69029207
7-[(2R)-3-amino-2-hydroxy-4-methylpentoxy]-2-[3,5-bis(phenylmethoxy)phenyl]chromen-4-one
CID 67050427
2-(3,4-dimethoxyphenyl)-7-hydroxy-6-methoxychromen-4-one
CID 14235163
5-hydroxy-2-[4-methoxy-3-(1-phenyltetrazol-5-yl)oxyphenyl]-7-phenylmethoxychromen-4-one
CID 11180161
7,8-dimethoxy-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 178187643
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505
6-methoxy-2-(3-methoxy-4-phenylmethoxyphenyl)-1-benzofuran
CID 57332865
2-[4-methoxy-3-[2-[2-methoxy-5-(4-oxochromen-2-yl)phenyl]ethynyl]phenyl]chromen-4-one
CID 102579300
5,7-bis(phenylmethoxy)-2-(4-phenylmethoxyphenyl)chromen-4-one
CID 11180247
3-hydroxy-7-methoxy-4-phenylmethoxychromen-2-one
CID 22402268

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one?
The IUPAC name of 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one (CID 139217483) is 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one.
What is the SMILES notation for 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one?
The canonical SMILES for 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one is COc1ccc(-c2cc(=O)c3ccc(OCc4ccccc4)cc3o2)cc1O.
What is the InChIKey of 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one?
The InChIKey is WEWUNPFBARRTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O5/c1-26-21-10-7-16(11-20(21)25)22-13-19(24)18-9-8-17(12-23(18)28-22)27-14-15-5-3-2-4-6-15/h2-13,25H,14H2,1H3.
What are the key properties of 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one?
2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methoxyphenyl)-7-phenylmethoxychromen-4-one is sourced from PubChem (CID 139217483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).