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

C15H13NO3 — CID 15629818

IUPAC[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
SMILESCOc1ccc(-c2nc3ccc(CO)cc3o2)cc1
InChIInChI=1S/C15H13NO3/c1-18-12-5-3-11(4-6-12)15-16-13-7-2-10(9-17)8-14(13)19-15/h2-8,17H,9H2,1H3
InChIKeyIHWMSPCMCAEADL-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.00
Rot. Bonds3

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

[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol (PubChem CID 15629818) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
PubChem CID15629818
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol
SMILESCOc1ccc(-c2nc3ccc(CO)cc3o2)cc1
InChIInChI=1S/C15H13NO3/c1-18-12-5-3-11(4-6-12)15-16-13-7-2-10(9-17)8-14(13)19-15/h2-8,17H,9H2,1H3
InChIKeyIHWMSPCMCAEADL-UHFFFAOYSA-N
XLogP3.00
TPSA55.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethoxyphenyl)-1,3-benzoxazol-6-yl]methanol
CID 82357784
2-hydroxy-1-[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]ethanone
CID 149261528
[4-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenoxy]phenyl]methanol
CID 58057288
N-[2-(4-chlorophenyl)-1,3-benzoxazol-6-yl]-2-(4-methoxyphenyl)acetamide
CID 7326619
2-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetic acid
CID 82036585
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
6-(2-fluorophenyl)-2-(4-methoxyphenyl)-1,3-benzoxazole
CID 23025909
[2-(3-amino-4-methoxyphenyl)-1,3-benzoxazol-5-yl]methanol
CID 83970982
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
[2-(4-bromophenyl)-1,3-benzoxazol-5-yl]methanol
CID 83949668
N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-6-yl]-3-(4-methoxyphenyl)propanamide
CID 17360136
[2-(4-methoxyphenyl)-5-methyl-1,3-benzoxazol-7-yl]methanol
CID 76851593

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol?
The IUPAC name of [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol (CID 15629818) is [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol.
What is the SMILES notation for [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol?
The canonical SMILES for [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol is COc1ccc(-c2nc3ccc(CO)cc3o2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol?
The InChIKey is IHWMSPCMCAEADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-18-12-5-3-11(4-6-12)15-16-13-7-2-10(9-17)8-14(13)19-15/h2-8,17H,9H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol?
[2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol has a molecular weight of 255.27 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-1,3-benzoxazol-6-yl]methanol is sourced from PubChem (CID 15629818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).