(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one

C22H26O5 — CID 134834405

IUPAC(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
SMILESCCCOc1ccc(OCCC)c([C@H]2CC(=O)Oc3cc(OC)ccc32)c1
InChIInChI=1S/C22H26O5/c1-4-10-25-16-7-9-20(26-11-5-2)19(12-16)18-14-22(23)27-21-13-15(24-3)6-8-17(18)21/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3/t18-/m0/s1
InChIKeyLUFIZONTSSTEJL-SFHVURJKSA-N
MW370.45 g/mol
LogP4.71
Rot. Bonds8

About (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one

(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one (PubChem CID 134834405) has the molecular formula C22H26O5 and a molecular weight of 370.45 g/mol. Its IUPAC name is (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
PubChem CID134834405
Molecular FormulaC22H26O5
Molecular Weight370.45 g/mol
Exact Mass370.18
IUPAC Name(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one
SMILESCCCOc1ccc(OCCC)c([C@H]2CC(=O)Oc3cc(OC)ccc32)c1
InChIInChI=1S/C22H26O5/c1-4-10-25-16-7-9-20(26-11-5-2)19(12-16)18-14-22(23)27-21-13-15(24-3)6-8-17(18)21/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3/t18-/m0/s1
InChIKeyLUFIZONTSSTEJL-SFHVURJKSA-N
XLogP4.71
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(3-methoxy-4-propoxyphenyl)-2-oxo-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 22686076
(4R)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4S)-5-hydroxy-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one;(4R)-4-(4-hydroxyphenyl)-7-propoxy-3,4-dihydrochromen-2-one;(4S)-4-(4-hydroxyphenyl)-7-propoxy-3,4-dihydrochromen-2-one;(4R)-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 159625686
4-(2-ethoxy-4-methoxyphenyl)-7-hydroxy-3,4-dihydrochromen-2-one
CID 20984581
(4R)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one;(4S)-7-ethoxy-4-(4-hydroxy-3-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 158798146
2-[[4-(4-ethoxy-3-methoxyphenyl)-2-oxo-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 20993736
2-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-3,4-dihydrochromen-7-yl]oxy]acetic acid
CID 20990391
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
(4R)-4-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
CID 101014337
4-(2-butoxyphenyl)-6-methoxy-3,4-dihydro-1H-naphthalen-2-one
CID 157493993
7-(4-bromobutoxy)-4-methyl-3,4-dihydrochromen-2-one
CID 155667336
7-[[4-[(5-methoxy-1-benzofuran-2-yl)methoxy]phenyl]methoxy]-4-methyl-3,4-dihydrochromen-2-one
CID 141283555
6-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 15419594

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one?
The IUPAC name of (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one (CID 134834405) is (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one.
What is the SMILES notation for (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one?
The canonical SMILES for (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one is CCCOc1ccc(OCCC)c([C@H]2CC(=O)Oc3cc(OC)ccc32)c1.
What is the InChIKey of (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one?
The InChIKey is LUFIZONTSSTEJL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26O5/c1-4-10-25-16-7-9-20(26-11-5-2)19(12-16)18-14-22(23)27-21-13-15(24-3)6-8-17(18)21/h6-9,12-13,18H,4-5,10-11,14H2,1-3H3/t18-/m0/s1.
What are the key properties of (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one?
(4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one has a molecular weight of 370.45 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,5-dipropoxyphenyl)-7-methoxy-3,4-dihydrochromen-2-one is sourced from PubChem (CID 134834405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).