3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

C16H16O3 — CID 23652247

IUPAC3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc(C2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C16H16O3/c1-18-15-6-3-11(4-7-15)13-8-12-2-5-14(17)9-16(12)19-10-13/h2-7,9,13,17H,8,10H2,1H3
InChIKeyFPRFNXQLWQOWED-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.12
Rot. Bonds2

About 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol

3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (PubChem CID 23652247) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
PubChem CID23652247
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
SMILESCOc1ccc(C2COc3cc(O)ccc3C2)cc1
InChIInChI=1S/C16H16O3/c1-18-15-6-3-11(4-7-15)13-8-12-2-5-14(17)9-16(12)19-10-13/h2-7,9,13,17H,8,10H2,1H3
InChIKeyFPRFNXQLWQOWED-UHFFFAOYSA-N
XLogP3.12
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The IUPAC name of 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol (CID 23652247) is 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is COc1ccc(C2COc3cc(O)ccc3C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
The InChIKey is FPRFNXQLWQOWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15-6-3-11(4-7-15)13-8-12-2-5-14(17)9-16(12)19-10-13/h2-7,9,13,17H,8,10H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol?
3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol has a molecular weight of 256.30 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol is sourced from PubChem (CID 23652247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).