6-methoxy-2-phenylchromen-4-one;hydrate

C16H14O4 — CID 174958280

IUPAC6-methoxy-2-phenylchromen-4-one;hydrate
SMILESCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.O
InChIInChI=1S/C16H12O3.H2O/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11;/h2-10H,1H3;1H2
InChIKeyAALBCLGVWAQVNU-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.64
Rot. Bonds2

About 6-methoxy-2-phenylchromen-4-one;hydrate

6-methoxy-2-phenylchromen-4-one;hydrate (PubChem CID 174958280) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 6-methoxy-2-phenylchromen-4-one;hydrate.

Molecular Properties

Compound Name6-methoxy-2-phenylchromen-4-one;hydrate
PubChem CID174958280
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name6-methoxy-2-phenylchromen-4-one;hydrate
SMILESCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1.O
InChIInChI=1S/C16H12O3.H2O/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11;/h2-10H,1H3;1H2
InChIKeyAALBCLGVWAQVNU-UHFFFAOYSA-N
XLogP2.64
TPSA70.94 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-2-phenylchromen-4-one;hydrate 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

2-(4-tert-butylphenyl)-6-methoxychromen-4-one
CID 776400
2-(3,5-dimethylphenyl)-6-methoxychromen-4-one
CID 166633270
6-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676288
6-(chloromethoxy)-2-phenylchromen-4-one
CID 174619447
6-(aminomethoxy)-2-phenylchromen-4-one
CID 174632980
2-(4-butoxyphenyl)-6-methoxychromen-4-one
CID 132609984
6-methoxy-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)chromen-4-one
CID 139215507
6-methoxy-2-naphthalen-1-ylchromen-4-one
CID 101199267
6-[2-(dimethylamino)ethoxy]-2-phenylchromen-4-one
CID 14982949
6-methoxy-2-[4-(pyrimidin-2-ylamino)phenyl]chromen-4-one
CID 108773151
2-(6-methoxynaphthalen-2-yl)chromen-4-one
CID 132606136
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-phenylchromen-4-one;hydrate?
The IUPAC name of 6-methoxy-2-phenylchromen-4-one;hydrate (CID 174958280) is 6-methoxy-2-phenylchromen-4-one;hydrate.
What is the SMILES notation for 6-methoxy-2-phenylchromen-4-one;hydrate?
The canonical SMILES for 6-methoxy-2-phenylchromen-4-one;hydrate is COc1ccc2oc(-c3ccccc3)cc(=O)c2c1.O.
What is the InChIKey of 6-methoxy-2-phenylchromen-4-one;hydrate?
The InChIKey is AALBCLGVWAQVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O3.H2O/c1-18-12-7-8-15-13(9-12)14(17)10-16(19-15)11-5-3-2-4-6-11;/h2-10H,1H3;1H2.
What are the key properties of 6-methoxy-2-phenylchromen-4-one;hydrate?
6-methoxy-2-phenylchromen-4-one;hydrate has a molecular weight of 270.28 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-phenylchromen-4-one;hydrate is sourced from PubChem (CID 174958280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).