[3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol

C22H25NO6 — CID 10739699

IUPAC[3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol
SMILESCOc1cc2cc(N)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C22H25NO6/c1-25-17-7-12-6-16(23)15(11-24)21(14(12)10-18(17)26-2)13-8-19(27-3)22(29-5)20(9-13)28-4/h6-10,24H,11,23H2,1-5H3
InChIKeyYFYSVBXOCRLWBC-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.62
Rot. Bonds7

About [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol

[3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol (PubChem CID 10739699) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol
PubChem CID10739699
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol
SMILESCOc1cc2cc(N)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC
InChIInChI=1S/C22H25NO6/c1-25-17-7-12-6-16(23)15(11-24)21(14(12)10-18(17)26-2)13-8-19(27-3)22(29-5)20(9-13)28-4/h6-10,24H,11,23H2,1-5H3
InChIKeyYFYSVBXOCRLWBC-UHFFFAOYSA-N
XLogP3.62
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol?
The IUPAC name of [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol (CID 10739699) is [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol.
What is the SMILES notation for [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol?
The canonical SMILES for [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol is COc1cc2cc(N)c(CO)c(-c3cc(OC)c(OC)c(OC)c3)c2cc1OC.
What is the InChIKey of [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol?
The InChIKey is YFYSVBXOCRLWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO6/c1-25-17-7-12-6-16(23)15(11-24)21(14(12)10-18(17)26-2)13-8-19(27-3)22(29-5)20(9-13)28-4/h6-10,24H,11,23H2,1-5H3.
What are the key properties of [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol?
[3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol has a molecular weight of 399.44 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)naphthalen-2-yl]methanol is sourced from PubChem (CID 10739699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).