7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde

C18H14O5 — CID 46236305

IUPAC7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde
SMILESCOc1ccc(-c2oc3c(C=O)c(O)ccc3c(=O)c2C)cc1
InChIInChI=1S/C18H14O5/c1-10-16(21)13-7-8-15(20)14(9-19)18(13)23-17(10)11-3-5-12(22-2)6-4-11/h3-9,20H,1-2H3
InChIKeyBOEAOIREJCKONM-UHFFFAOYSA-N
MW310.31 g/mol
LogP3.30
Rot. Bonds3

About 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde

7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde (PubChem CID 46236305) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde
PubChem CID46236305
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde
SMILESCOc1ccc(-c2oc3c(C=O)c(O)ccc3c(=O)c2C)cc1
InChIInChI=1S/C18H14O5/c1-10-16(21)13-7-8-15(20)14(9-19)18(13)23-17(10)11-3-5-12(22-2)6-4-11/h3-9,20H,1-2H3
InChIKeyBOEAOIREJCKONM-UHFFFAOYSA-N
XLogP3.30
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-hydroxy-2-(4-methoxyphenyl)-3-methylchromen-4-one
CID 139992853
2-(4-methoxyphenyl)-3-methyl-8-[(Z)-prop-1-enyl]chromen-4-one
CID 70447712
3,6-dihydroxy-5,7,8-trimethoxy-2-(4-methoxyphenyl)chromen-4-one
CID 10643114
3-bromo-7-hydroxy-4-methyl-2-oxochromene-8-carbaldehyde
CID 24799272
3-hydroxy-2-(4-methoxyphenyl)cyclohepta[b]pyran-4,9-dione
CID 850149
7-hydroxy-8-[(4-methoxyphenyl)iminomethyl]-4-methylchromen-2-one
CID 135799900
2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-dimethoxy-3-methylchromen-4-one
CID 14873686
[4-(7-methoxy-3-methyl-4-oxochromen-2-yl)phenyl] 3,5-diaminobenzoate
CID 139992676
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686
2-[4-[4-[ethyl-[(2-methylphenyl)methyl]amino]butyl-methylamino]phenyl]-7-hydroxy-8-methoxy-3-methylchromen-4-one
CID 165142373
3,7-dihydroxy-8-methyl-2-phenylchromen-4-one
CID 178063464
[6-acetyloxy-3,7,8-trimethoxy-2-(4-methoxyphenyl)-4-oxochromen-5-yl] acetate
CID 10742532

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde?
The IUPAC name of 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde (CID 46236305) is 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde.
What is the SMILES notation for 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde?
The canonical SMILES for 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde is COc1ccc(-c2oc3c(C=O)c(O)ccc3c(=O)c2C)cc1.
What is the InChIKey of 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde?
The InChIKey is BOEAOIREJCKONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-10-16(21)13-7-8-15(20)14(9-19)18(13)23-17(10)11-3-5-12(22-2)6-4-11/h3-9,20H,1-2H3.
What are the key properties of 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde?
7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde has a molecular weight of 310.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(4-methoxyphenyl)-3-methyl-4-oxochromene-8-carbaldehyde is sourced from PubChem (CID 46236305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).