5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol

C19H22O5 — CID 155755624

IUPAC5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(OC)c2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2
InChIInChI=1S/C19H22O5/c1-21-14-9-18(23-3)15-7-13(11-24-19(15)10-14)6-12-4-5-17(22-2)16(20)8-12/h4-5,8-10,13,20H,6-7,11H2,1-3H3
InChIKeySUCIVSHASFVDBT-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.21
Rot. Bonds5

About 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol

5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol (PubChem CID 155755624) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol
PubChem CID155755624
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol
SMILESCOc1cc(OC)c2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2
InChIInChI=1S/C19H22O5/c1-21-14-9-18(23-3)15-7-13(11-24-19(15)10-14)6-12-4-5-17(22-2)16(20)8-12/h4-5,8-10,13,20H,6-7,11H2,1-3H3
InChIKeySUCIVSHASFVDBT-UHFFFAOYSA-N
XLogP3.21
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-[[(3R)-5,6,7-trimethoxy-3,4-dihydro-2H-chromen-3-yl]methyl]phenol
CID 155755652
5-(cyclopropylmethyl)-2-methoxyphenol
CID 115015182
3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 142744862
2-[butyl-[2-methoxy-5-[(5,6,7-trimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]phenoxy]carbonylamino]acetic acid
CID 175884760
6-chloro-3-[(3-hydroxy-4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 69167667
(3S,4S)-3-[(3-hydroxy-4-methoxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
CID 11210543
5,6,7-triethoxy-3-[(4-ethoxy-3-fluorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 155755683
(3R)-5,7-dihydroxy-3-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,3-dihydrochromen-4-one
CID 162921322
2-[2-hydroxy-4-(3-hydroxy-5,7-dimethoxy-3,4-dihydro-2H-chromen-2-yl)phenoxy]acetic acid
CID 78056008
[(3R)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate;2-methoxybenzene-1,3-diol
CID 142309856
5-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methyl]-2-methoxyphenol;hydrochloride
CID 69043813
(3R,4R)-4-[(3-hydroxy-4-methoxyphenyl)methyl]-3-[(3-hydroxyphenyl)methyl]oxolan-2-one
CID 11131264

Frequently Asked Questions

What is the IUPAC name of 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol?
The IUPAC name of 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol (CID 155755624) is 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol.
What is the SMILES notation for 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol?
The canonical SMILES for 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol is COc1cc(OC)c2c(c1)OCC(Cc1ccc(OC)c(O)c1)C2.
What is the InChIKey of 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol?
The InChIKey is SUCIVSHASFVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O5/c1-21-14-9-18(23-3)15-7-13(11-24-19(15)10-14)6-12-4-5-17(22-2)16(20)8-12/h4-5,8-10,13,20H,6-7,11H2,1-3H3.
What are the key properties of 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol?
5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol has a molecular weight of 330.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2-methoxyphenol is sourced from PubChem (CID 155755624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).