[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol

C18H17O4+ — CID 140893892

IUPAC[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol
SMILESCOc1ccc(-c2ccc3ccc(CO)cc3[o+]2)cc1OC
InChIInChI=1S/C18H17O4/c1-20-16-8-6-14(10-18(16)21-2)15-7-5-13-4-3-12(11-19)9-17(13)22-15/h3-10,19H,11H2,1-2H3/q+1
InChIKeySKQCEPQZVNKARI-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.89
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol

[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol (PubChem CID 140893892) has the molecular formula C18H17O4+ and a molecular weight of 297.33 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol
PubChem CID140893892
Molecular FormulaC18H17O4+
Molecular Weight297.33 g/mol
Exact Mass297.11
IUPAC Name[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol
SMILESCOc1ccc(-c2ccc3ccc(CO)cc3[o+]2)cc1OC
InChIInChI=1S/C18H17O4/c1-20-16-8-6-14(10-18(16)21-2)15-7-5-13-4-3-12(11-19)9-17(13)22-15/h3-10,19H,11H2,1-2H3/q+1
InChIKeySKQCEPQZVNKARI-UHFFFAOYSA-N
XLogP3.89
TPSA49.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxy-4-methoxyphenyl)chromenylium-7-ol chloride
CID 140893890
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
2-(3,4-dimethoxyphenyl)chromenylium-5,7-diol
CID 134911918
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium
CID 13045733
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromenylium perchlorate
CID 13045836
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrochromen-1-ium perchlorate
CID 134909653
[3-(4-ethoxyphenyl)-4-methoxyphenyl]methanol
CID 94272407
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
CID 142791148
[4-(1,2,4-benzotriazin-3-yloxy)-3-methoxyphenyl]methanol
CID 107743997

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol?
The IUPAC name of [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol (CID 140893892) is [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol is COc1ccc(-c2ccc3ccc(CO)cc3[o+]2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol?
The InChIKey is SKQCEPQZVNKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17O4/c1-20-16-8-6-14(10-18(16)21-2)15-7-5-13-4-3-12(11-19)9-17(13)22-15/h3-10,19H,11H2,1-2H3/q+1.
What are the key properties of [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol?
[2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol has a molecular weight of 297.33 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)chromenylium-7-yl]methanol is sourced from PubChem (CID 140893892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).