6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one

C20H22O4 — CID 156760249

IUPAC6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1OCc1ccccc1)OC(C(C)C)CC2=O
InChIInChI=1S/C20H22O4/c1-13(2)17-10-16(21)15-9-19(22-3)20(11-18(15)24-17)23-12-14-7-5-4-6-8-14/h4-9,11,13,17H,10,12H2,1-3H3
InChIKeyIQFAVPVOERKOCT-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.26
Rot. Bonds5

About 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one

6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one (PubChem CID 156760249) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
PubChem CID156760249
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one
SMILESCOc1cc2c(cc1OCc1ccccc1)OC(C(C)C)CC2=O
InChIInChI=1S/C20H22O4/c1-13(2)17-10-16(21)15-9-19(22-3)20(11-18(15)24-17)23-12-14-7-5-4-6-8-14/h4-9,11,13,17H,10,12H2,1-3H3
InChIKeyIQFAVPVOERKOCT-UHFFFAOYSA-N
XLogP4.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-methoxy-7-phenylmethoxy-2-propan-2-yl-2H-chromen-4-amine
CID 156760212
2-methoxy-6-phenyl-8-(1-phenylethyl)-3-phenylmethoxy-6H-benzo[c]chromene
CID 70801990
6-methoxy-3-(6-methoxy-1,3-benzodioxol-5-yl)-4-methoxyimino-7-phenylmethoxy-2,3-dihydronaphthalen-1-one
CID 139985414
3-methoxy-2-phenylmethoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one
CID 14676205
6-methoxy-7-phenylmethoxy-3,12-dioxapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-14,21-dione
CID 171342927
6-chloro-7-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 12073467
1-ethyl-5-methoxy-4-phenylmethoxy-2-propan-2-ylbenzene
CID 121405987
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
3-methoxy-2-phenylmethoxy-7,12,12a,14-tetrahydroisoquinolino[2,3-b][2]benzazepine-5,13-dione
CID 152917183
(3R,4S)-7-methoxy-4-phenyl-6-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 132544355
10-methoxy-1-methyl-2-oxo-9-phenylmethoxy-6-propan-2-yl-7H-pyrido[2,1-a]phthalazine-3-carboxylic acid
CID 166680335
6-fluoro-2-propan-2-yl-2,3-dihydrochromen-4-one
CID 114672243

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one (CID 156760249) is 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one is COc1cc2c(cc1OCc1ccccc1)OC(C(C)C)CC2=O.
What is the InChIKey of 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one?
The InChIKey is IQFAVPVOERKOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-13(2)17-10-16(21)15-9-19(22-3)20(11-18(15)24-17)23-12-14-7-5-4-6-8-14/h4-9,11,13,17H,10,12H2,1-3H3.
What are the key properties of 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one?
6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one has a molecular weight of 326.39 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-phenylmethoxy-2-propan-2-yl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 156760249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).