2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol

C17H21NO5 — CID 44538879

IUPAC2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol
SMILESCOc1ccc(N(C)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H21NO5/c1-18(11-6-7-14(20-2)13(19)8-11)12-9-15(21-3)17(23-5)16(10-12)22-4/h6-10,19H,1-5H3
InChIKeyARIQUGXAOCOSFV-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.19
Rot. Bonds6

About 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol

2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol (PubChem CID 44538879) has the molecular formula C17H21NO5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol.

Molecular Properties

Compound Name2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol
PubChem CID44538879
Molecular FormulaC17H21NO5
Molecular Weight319.36 g/mol
Exact Mass319.14
IUPAC Name2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol
SMILESCOc1ccc(N(C)c2cc(OC)c(OC)c(OC)c2)cc1O
InChIInChI=1S/C17H21NO5/c1-18(11-6-7-14(20-2)13(19)8-11)12-9-15(21-3)17(23-5)16(10-12)22-4/h6-10,19H,1-5H3
InChIKeyARIQUGXAOCOSFV-UHFFFAOYSA-N
XLogP3.19
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3-hydroxy-4-methoxy-N-methylanilino)-4,5-dimethoxybenzoate
CID 71616691
2-methoxy-5-(3,4,5-trimethoxyphenyl)sulfanylphenol
CID 86291799
CID 72697645
CID 72697645
(1S,2S)-1-(3-hydroxy-4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-diol
CID 10247286
2-methoxy-5-[(4-methoxy-N-methylanilino)methyl]phenol
CID 82978512
2-methoxy-5-[(1S,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]phenol
CID 71524985
N-(3,4-dimethoxyphenyl)-N-methylhydroxylamine
CID 88903555
3-hydroxy-4-methoxy-N-methyl-N-phenylbenzamide
CID 79725609
2-aminooxy-5-(dimethylamino)phenol
CID 58369946
N,N-dimethyl-4-[2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 54188943
2-methyl-2-(3,4,5-trimethoxy-N-methylanilino)propan-1-ol
CID 115133331
1,2,3,5-tetramethoxybenzene;1,2,4-trimethoxybenzene
CID 54271001

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol?
The IUPAC name of 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol (CID 44538879) is 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol.
What is the SMILES notation for 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol?
The canonical SMILES for 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol is COc1ccc(N(C)c2cc(OC)c(OC)c(OC)c2)cc1O.
What is the InChIKey of 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol?
The InChIKey is ARIQUGXAOCOSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO5/c1-18(11-6-7-14(20-2)13(19)8-11)12-9-15(21-3)17(23-5)16(10-12)22-4/h6-10,19H,1-5H3.
What are the key properties of 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol?
2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol has a molecular weight of 319.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(3,4,5-trimethoxy-N-methylanilino)phenol is sourced from PubChem (CID 44538879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).