[2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol

C15H16NO5- — CID 163131632

IUPAC[2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol
SMILESCOc1cc(C(O)c2ccccc2)c(N([O-])O)cc1OC
InChIInChI=1S/C15H16NO5/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)10-6-4-3-5-7-10/h3-9,15,17-18H,1-2H3/q-1
InChIKeyAXDVCLUBOCUKKK-UHFFFAOYSA-N
MW290.30 g/mol
LogP2.48
Rot. Bonds5

About [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol

[2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol (PubChem CID 163131632) has the molecular formula C15H16NO5- and a molecular weight of 290.30 g/mol. Its IUPAC name is [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol
PubChem CID163131632
Molecular FormulaC15H16NO5-
Molecular Weight290.30 g/mol
Exact Mass290.10
IUPAC Name[2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol
SMILESCOc1cc(C(O)c2ccccc2)c(N([O-])O)cc1OC
InChIInChI=1S/C15H16NO5/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)10-6-4-3-5-7-10/h3-9,15,17-18H,1-2H3/q-1
InChIKeyAXDVCLUBOCUKKK-UHFFFAOYSA-N
XLogP2.48
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(S)-(3,4-dimethoxyphenyl)-phenylmethanol
CID 7154230
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
phenyl-[2-(trideuteriomethoxy)phenyl]methanol
CID 101015641
(3-fluorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 63895832
(2,6-dimethoxy-4-methylphenyl)-phenylmethanol
CID 101134795
1-[chloro(phenyl)methyl]-2,4,5-trimethoxybenzene
CID 61083307
(4-methoxy-2-methylphenyl)-phenylmethanol
CID 61101114
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
2-amino-1-(2-bromo-4,5-dimethoxyphenyl)-2-phenylethanol
CID 62720028
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991
(4-chlorophenyl)-(2,4,5-trimethoxyphenyl)methanol
CID 61101584
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
CID 58941377

Frequently Asked Questions

What is the IUPAC name of [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol?
The IUPAC name of [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol (CID 163131632) is [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol.
What is the SMILES notation for [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol?
The canonical SMILES for [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol is COc1cc(C(O)c2ccccc2)c(N([O-])O)cc1OC.
What is the InChIKey of [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol?
The InChIKey is AXDVCLUBOCUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16NO5/c1-20-13-8-11(12(16(18)19)9-14(13)21-2)15(17)10-6-4-3-5-7-10/h3-9,15,17-18H,1-2H3/q-1.
What are the key properties of [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol?
[2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol has a molecular weight of 290.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[hydroxy(oxido)amino]-4,5-dimethoxyphenyl]-phenylmethanol is sourced from PubChem (CID 163131632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).