7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol

C19H21NO6 — CID 144899639

IUPAC7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol
SMILESC=C1Nc2cc(OC)c(O)cc2C(c2cc(OC)c(OC)c(OC)c2)O1
InChIInChI=1S/C19H21NO6/c1-10-20-13-9-15(22-2)14(21)8-12(13)18(26-10)11-6-16(23-3)19(25-5)17(7-11)24-4/h6-9,18,20-21H,1H2,2-5H3
InChIKeyLQXDVJOCITZVGU-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.43
Rot. Bonds5

About 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol

7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol (PubChem CID 144899639) has the molecular formula C19H21NO6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol.

Molecular Properties

Compound Name7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol
PubChem CID144899639
Molecular FormulaC19H21NO6
Molecular Weight359.38 g/mol
Exact Mass359.14
IUPAC Name7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol
SMILESC=C1Nc2cc(OC)c(O)cc2C(c2cc(OC)c(OC)c(OC)c2)O1
InChIInChI=1S/C19H21NO6/c1-10-20-13-9-15(22-2)14(21)8-12(13)18(26-10)11-6-16(23-3)19(25-5)17(7-11)24-4/h6-9,18,20-21H,1H2,2-5H3
InChIKeyLQXDVJOCITZVGU-UHFFFAOYSA-N
XLogP3.43
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-5-methoxy-3-methyl-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1-benzofuran-6-ol
CID 163037517
(6S,7S,8S)-3-methoxy-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 53359709
3-(3,4,5-trimethoxyphenyl)-3H-2-benzofuran-1-one
CID 59921138
2-methoxy-5-[3-methoxy-5-(3,4,5-trimethoxyphenyl)-2,5-dihydro-1,2-oxazol-4-yl]phenol
CID 91044136
2-(3,4,5-trimethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 10686792
5-acetyl-4-methylidene-6-(3,4,5-trimethoxyphenyl)-1,3-diazinan-2-one
CID 3637129
6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isochromene
CID 5306966
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
2,3-dimethoxy-5-[(2R,5R)-5-(3,4,5-trimethoxyphenyl)oxolan-2-yl]phenol
CID 11794734
4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl]-2-methoxyphenol
CID 14655034
4-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol
CID 14134109
1-(3,4,5-trimethoxyphenyl)-1H-furo[3,4-c]pyridin-3-one
CID 139864325

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol?
The IUPAC name of 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol (CID 144899639) is 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol.
What is the SMILES notation for 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol?
The canonical SMILES for 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol is C=C1Nc2cc(OC)c(O)cc2C(c2cc(OC)c(OC)c(OC)c2)O1.
What is the InChIKey of 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol?
The InChIKey is LQXDVJOCITZVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO6/c1-10-20-13-9-15(22-2)14(21)8-12(13)18(26-10)11-6-16(23-3)19(25-5)17(7-11)24-4/h6-9,18,20-21H,1H2,2-5H3.
What are the key properties of 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol?
7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol has a molecular weight of 359.38 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-methylidene-4-(3,4,5-trimethoxyphenyl)-1,4-dihydro-3,1-benzoxazin-6-ol is sourced from PubChem (CID 144899639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).