4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol

C20H22O5 — CID 56832872

IUPAC4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
SMILESCOc1cc(C2CCc3cc(/C=C/CO)cc(OC)c3O2)ccc1O
InChIInChI=1S/C20H22O5/c1-23-18-12-14(5-7-16(18)22)17-8-6-15-10-13(4-3-9-21)11-19(24-2)20(15)25-17/h3-5,7,10-12,17,21-22H,6,8-9H2,1-2H3/b4-3+
InChIKeyKMULVAVAFYCXHO-ONEGZZNKSA-N
MW342.39 g/mol
LogP3.48
Rot. Bonds5

About 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol

4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol (PubChem CID 56832872) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
PubChem CID56832872
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol
SMILESCOc1cc(C2CCc3cc(/C=C/CO)cc(OC)c3O2)ccc1O
InChIInChI=1S/C20H22O5/c1-23-18-12-14(5-7-16(18)22)17-8-6-15-10-13(4-3-9-21)11-19(24-2)20(15)25-17/h3-5,7,10-12,17,21-22H,6,8-9H2,1-2H3/b4-3+
InChIKeyKMULVAVAFYCXHO-ONEGZZNKSA-N
XLogP3.48
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol with MolForge

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Related Compounds

4-[3-(hydroxymethyl)-5-[3-(hydroxymethyl)-5-(3-hydroxyprop-1-enyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenol
CID 71439988
(E)-3-[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
CID 143676818
2-methoxy-4-(7-methoxy-2,3-dihydro-1-benzofuran-2-yl)phenol
CID 86220883
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
(2R,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-(3-methoxyprop-1-enyl)-2,3-dihydro-1-benzofuran-7-ol
CID 163010303
2-methoxy-4-[(2S,3S)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 5281836
2-methoxy-4-[(2S,3R)-7-methoxy-3-methyl-5-[(E)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]phenol
CID 51136353
2-methoxy-4-(oxolan-2-yl)phenol
CID 70616633
(E)-3-[(2R,3S)-2-[(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enal
CID 122395445
3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
CID 162842175
methyl 3-[(2R,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
CID 162968509
methyl (E)-3-[(2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoate
CID 92852583

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol (CID 56832872) is 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol is COc1cc(C2CCc3cc(/C=C/CO)cc(OC)c3O2)ccc1O.
What is the InChIKey of 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol?
The InChIKey is KMULVAVAFYCXHO-ONEGZZNKSA-N. The full InChI is InChI=1S/C20H22O5/c1-23-18-12-14(5-7-16(18)22)17-8-6-15-10-13(4-3-9-21)11-19(24-2)20(15)25-17/h3-5,7,10-12,17,21-22H,6,8-9H2,1-2H3/b4-3+.
What are the key properties of 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol?
4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol has a molecular weight of 342.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(E)-3-hydroxyprop-1-enyl]-8-methoxy-3,4-dihydro-2H-chromen-2-yl]-2-methoxyphenol is sourced from PubChem (CID 56832872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).