7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol

C13H18O3 — CID 114714331

IUPAC7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCC1CC(O)c2ccc(OC)cc2O1
InChIInChI=1S/C13H18O3/c1-3-4-10-7-12(14)11-6-5-9(15-2)8-13(11)16-10/h5-6,8,10,12,14H,3-4,7H2,1-2H3
InChIKeyBTNRJHGHVZHKBY-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.68
Rot. Bonds3

About 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol

7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol (PubChem CID 114714331) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol.

Molecular Properties

Compound Name7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol
PubChem CID114714331
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol
SMILESCCCC1CC(O)c2ccc(OC)cc2O1
InChIInChI=1S/C13H18O3/c1-3-4-10-7-12(14)11-6-5-9(15-2)8-13(11)16-10/h5-6,8,10,12,14H,3-4,7H2,1-2H3
InChIKeyBTNRJHGHVZHKBY-UHFFFAOYSA-N
XLogP2.68
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-2-heptyl-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104948552
2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714249
N-ethyl-7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-amine
CID 114711038
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715401
(4R)-2-hexyl-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944789
2-(2,4-dimethylphenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114714374
(4S)-7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 104948683
7-methoxy-2-(3-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714356
7-methoxy-2-(2-methoxyphenyl)-3,4-dihydro-2H-chromen-4-ol
CID 114714285
(4R)-7-methoxy-2'-propylspiro[3,4-dihydrochromene-2,4'-oxane]-4-ol
CID 104948592
(4S)-2-(2-ethylsulfanylethyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944582

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol?
The IUPAC name of 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol (CID 114714331) is 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol.
What is the SMILES notation for 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol?
The canonical SMILES for 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol is CCCC1CC(O)c2ccc(OC)cc2O1.
What is the InChIKey of 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol?
The InChIKey is BTNRJHGHVZHKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-4-10-7-12(14)11-6-5-9(15-2)8-13(11)16-10/h5-6,8,10,12,14H,3-4,7H2,1-2H3.
What are the key properties of 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol?
7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol has a molecular weight of 222.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-propyl-3,4-dihydro-2H-chromen-4-ol is sourced from PubChem (CID 114714331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).