7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol

C19H22O4 — CID 175078210

IUPAC7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol
SMILESCOc1ccc(C2COc3cc(CCCO)c(O)cc3C2)cc1
InChIInChI=1S/C19H22O4/c1-22-17-6-4-13(5-7-17)16-9-15-10-18(21)14(3-2-8-20)11-19(15)23-12-16/h4-7,10-11,16,20-21H,2-3,8-9,12H2,1H3
InChIKeyMITUVYCSLJBDOI-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.04
Rot. Bonds5

About 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol

7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol (PubChem CID 175078210) has the molecular formula C19H22O4 and a molecular weight of 314.38 g/mol. Its IUPAC name is 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol.

Molecular Properties

Compound Name7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol
PubChem CID175078210
Molecular FormulaC19H22O4
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol
SMILESCOc1ccc(C2COc3cc(CCCO)c(O)cc3C2)cc1
InChIInChI=1S/C19H22O4/c1-22-17-6-4-13(5-7-17)16-9-15-10-18(21)14(3-2-8-20)11-19(15)23-12-16/h4-7,10-11,16,20-21H,2-3,8-9,12H2,1H3
InChIKeyMITUVYCSLJBDOI-UHFFFAOYSA-N
XLogP3.04
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol?
The IUPAC name of 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol (CID 175078210) is 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol.
What is the SMILES notation for 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol?
The canonical SMILES for 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol is COc1ccc(C2COc3cc(CCCO)c(O)cc3C2)cc1.
What is the InChIKey of 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol?
The InChIKey is MITUVYCSLJBDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O4/c1-22-17-6-4-13(5-7-17)16-9-15-10-18(21)14(3-2-8-20)11-19(15)23-12-16/h4-7,10-11,16,20-21H,2-3,8-9,12H2,1H3.
What are the key properties of 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol?
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol has a molecular weight of 314.38 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-hydroxypropyl)-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-6-ol is sourced from PubChem (CID 175078210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).