3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol

C20H17NO4 — CID 142075877

IUPAC3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol
SMILESCOc1c(O)cccc1CNc1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C20H17NO4/c1-23-20-13(5-4-6-15(20)22)12-21-14-9-10-18-19(11-14)25-17-8-3-2-7-16(17)24-18/h2-11,21-22H,12H2,1H3
InChIKeyPPQFNMKLWHNRJD-UHFFFAOYSA-N
MW335.36 g/mol
LogP4.91
Rot. Bonds4

About 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol

3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol (PubChem CID 142075877) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol
PubChem CID142075877
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol
SMILESCOc1c(O)cccc1CNc1ccc2c(c1)Oc1ccccc1O2
InChIInChI=1S/C20H17NO4/c1-23-20-13(5-4-6-15(20)22)12-21-14-9-10-18-19(11-14)25-17-8-3-2-7-16(17)24-18/h2-11,21-22H,12H2,1H3
InChIKeyPPQFNMKLWHNRJD-UHFFFAOYSA-N
XLogP4.91
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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2-chloro-4-[(2-methoxyphenyl)methylamino]phenol
CID 107678386
2-[(3-fluoroanilino)methyl]phenol
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N-[(2,3-dimethoxyphenyl)methyl]-3-methylaniline
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N-[(3,5-dimethoxyphenyl)methyl]phenoxathiin-3-amine
CID 22663983
N-[(2,3-dimethoxyphenyl)methyl]-4-fluoro-3-methylaniline
CID 62810743
N-[(2,3-dimethoxyphenyl)methyl]-4-methylaniline
CID 4143681
3-[(2-hydroxyphenyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 43715556
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methyl 2-chloro-5-[(2-hydroxyphenyl)methylamino]benzoate
CID 43672704

Frequently Asked Questions

What is the IUPAC name of 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol?
The IUPAC name of 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol (CID 142075877) is 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol is COc1c(O)cccc1CNc1ccc2c(c1)Oc1ccccc1O2.
What is the InChIKey of 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol?
The InChIKey is PPQFNMKLWHNRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-23-20-13(5-4-6-15(20)22)12-21-14-9-10-18-19(11-14)25-17-8-3-2-7-16(17)24-18/h2-11,21-22H,12H2,1H3.
What are the key properties of 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol?
3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol has a molecular weight of 335.36 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dibenzo-p-dioxin-2-ylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 142075877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).