6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one

C21H15ClO4 — CID 10406627

IUPAC6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
SMILESCc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccccc2)o1
InChIInChI=1S/C21H15ClO4/c1-13-7-9-18(25-13)20-21(24-12-14-5-3-2-4-6-14)19(23)16-11-15(22)8-10-17(16)26-20/h2-11H,12H2,1H3
InChIKeyWQRKSWVDHUGZGB-UHFFFAOYSA-N
MW366.80 g/mol
LogP5.59
Rot. Bonds4

About 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one

6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one (PubChem CID 10406627) has the molecular formula C21H15ClO4 and a molecular weight of 366.80 g/mol. Its IUPAC name is 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
PubChem CID10406627
Molecular FormulaC21H15ClO4
Molecular Weight366.80 g/mol
Exact Mass366.07
IUPAC Name6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one
SMILESCc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccccc2)o1
InChIInChI=1S/C21H15ClO4/c1-13-7-9-18(25-13)20-21(24-12-14-5-3-2-4-6-14)19(23)16-11-15(22)8-10-17(16)26-20/h2-11H,12H2,1H3
InChIKeyWQRKSWVDHUGZGB-UHFFFAOYSA-N
XLogP5.59
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.80
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-2-(furan-3-yl)-3-phenylmethoxychromen-4-one
CID 102287336
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678
6-chloro-2-(4-chlorophenyl)-3-[(3-chlorophenyl)methoxy]chromen-4-one
CID 21000417
3-[(6-chloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 7746624
6-chloro-3-[(2,4-dichlorophenyl)methoxy]-2-phenylchromen-4-one
CID 21000206
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603
6-chloro-2-(3,4-dimethoxyphenyl)-3-[(4-methylphenyl)methoxy]chromen-4-one
CID 21000610
6-chloro-3-[3-(4-methylphenoxy)propoxy]-2-phenylchromen-4-one
CID 7746607
6-chloro-3-[(2-fluorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746679
6-chloro-3-[(3-chlorophenyl)methoxy]-2-(3,4-dimethoxyphenyl)chromen-4-one
CID 21000612
2-(3-methylphenyl)-3-phenylmethoxychromen-4-one
CID 175470082
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one?
The IUPAC name of 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one (CID 10406627) is 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one.
What is the SMILES notation for 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one?
The canonical SMILES for 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one is Cc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCc2ccccc2)o1.
What is the InChIKey of 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one?
The InChIKey is WQRKSWVDHUGZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClO4/c1-13-7-9-18(25-13)20-21(24-12-14-5-3-2-4-6-14)19(23)16-11-15(22)8-10-17(16)26-20/h2-11H,12H2,1H3.
What are the key properties of 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one?
6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one has a molecular weight of 366.80 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-methylfuran-2-yl)-3-phenylmethoxychromen-4-one is sourced from PubChem (CID 10406627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).