7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one

C22H25NO5 — CID 14408569

IUPAC7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one
SMILESCOc1c(-c2ccccc2)oc2cc(OCC(O)CNC(C)C)ccc2c1=O
InChIInChI=1S/C22H25NO5/c1-14(2)23-12-16(24)13-27-17-9-10-18-19(11-17)28-21(22(26-3)20(18)25)15-7-5-4-6-8-15/h4-11,14,16,23-24H,12-13H2,1-3H3
InChIKeyRVZDTYTTWWYWKG-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.21
Rot. Bonds8

About 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one

7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one (PubChem CID 14408569) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one.

Molecular Properties

Compound Name7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one
PubChem CID14408569
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one
SMILESCOc1c(-c2ccccc2)oc2cc(OCC(O)CNC(C)C)ccc2c1=O
InChIInChI=1S/C22H25NO5/c1-14(2)23-12-16(24)13-27-17-9-10-18-19(11-17)28-21(22(26-3)20(18)25)15-7-5-4-6-8-15/h4-11,14,16,23-24H,12-13H2,1-3H3
InChIKeyRVZDTYTTWWYWKG-UHFFFAOYSA-N
XLogP3.21
TPSA80.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-2-phenyl-7-[3-(propan-2-ylamino)propoxy]chromen-4-one
CID 10384334
2-benzyl-7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-phenylchromen-4-one
CID 10072111
7-(3-anilino-2-hydroxypropoxy)-2,3-diphenylchromen-4-one
CID 14626335
3-benzyl-7-[2-hydroxy-3-(propylamino)propoxy]-2-phenylchromen-4-one
CID 13370638
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-5H-[1]benzofuro[3,2-c]quinolin-6-one
CID 15017612
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
[1-(4-oxo-2-phenylchromen-7-yl)oxy-3-(propan-2-ylamino)propan-2-yl] benzoate
CID 14373562
7-[2-hydroxy-3-(2-phenylethylamino)propoxy]-2-phenylchromen-4-one;hydrochloride
CID 14626307
3-amino-7-methoxy-2-phenylchromen-4-one
CID 101481005
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methylchromen-4-one
CID 3033107
5-hydroxy-3,7-dimethoxy-2-phenylchromen-4-one
CID 139068259
1-(2-methoxy-4-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol;N-methylformamide
CID 21397706

Frequently Asked Questions

What is the IUPAC name of 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one?
The IUPAC name of 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one (CID 14408569) is 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one.
What is the SMILES notation for 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one?
The canonical SMILES for 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one is COc1c(-c2ccccc2)oc2cc(OCC(O)CNC(C)C)ccc2c1=O.
What is the InChIKey of 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one?
The InChIKey is RVZDTYTTWWYWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-14(2)23-12-16(24)13-27-17-9-10-18-19(11-17)28-21(22(26-3)20(18)25)15-7-5-4-6-8-15/h4-11,14,16,23-24H,12-13H2,1-3H3.
What are the key properties of 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one?
7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one has a molecular weight of 383.44 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methoxy-2-phenylchromen-4-one is sourced from PubChem (CID 14408569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).