[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol

C16H15NO4 — CID 82357784

IUPAC[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
SMILESCOc1ccc(-c2nc3ccc(CO)cc3o2)cc1OC
InChIInChI=1S/C16H15NO4/c1-19-13-6-4-11(8-15(13)20-2)16-17-12-5-3-10(9-18)7-14(12)21-16/h3-8,18H,9H2,1-2H3
InChIKeyRVEHRBDWBCVFKA-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.00
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol

[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol (PubChem CID 82357784) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
PubChem CID82357784
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
SMILESCOc1ccc(-c2nc3ccc(CO)cc3o2)cc1OC
InChIInChI=1S/C16H15NO4/c1-19-13-6-4-11(8-15(13)20-2)16-17-12-5-3-10(9-18)7-14(12)21-16/h3-8,18H,9H2,1-2H3
InChIKeyRVEHRBDWBCVFKA-UHFFFAOYSA-N
XLogP3.00
TPSA64.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 15629818
2-(3,4-dimethoxyphenyl)-6-fluoro-1,3-benzoxazole
CID 25034610
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-benzoxazole
CID 3159469
2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-6-amine
CID 54910238
2-(3,4-dimethoxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 11688023
3-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]amino]propane-1,2-diol
CID 168596344
5-(6-fluoro-1,3-benzoxazol-2-yl)-2-methoxyaniline
CID 63744297
2-chloro-N'-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]ethanimidamide
CID 169367271
N-[[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]carbamothioyl]-4-methylbenzamide
CID 73254672
[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]methanol
CID 82357851
1-(diaminomethylidene)-2-[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-5-yl]guanidine
CID 168603578

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol?
The IUPAC name of [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol (CID 82357784) is [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol is COc1ccc(-c2nc3ccc(CO)cc3o2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol?
The InChIKey is RVEHRBDWBCVFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-19-13-6-4-11(8-15(13)20-2)16-17-12-5-3-10(9-18)7-14(12)21-16/h3-8,18H,9H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol?
[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol has a molecular weight of 285.30 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol is sourced from PubChem (CID 82357784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).