2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol

C15H19NO2 — CID 115066395

IUPAC2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
SMILESCc1cccc(CC2=NC3CCC(O)CC3O2)c1
InChIInChI=1S/C15H19NO2/c1-10-3-2-4-11(7-10)8-15-16-13-6-5-12(17)9-14(13)18-15/h2-4,7,12-14,17H,5-6,8-9H2,1H3
InChIKeyFVIKANPQQHXZQD-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.25
Rot. Bonds2

About 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol

2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol (PubChem CID 115066395) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
PubChem CID115066395
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol
SMILESCc1cccc(CC2=NC3CCC(O)CC3O2)c1
InChIInChI=1S/C15H19NO2/c1-10-3-2-4-11(7-10)8-15-16-13-6-5-12(17)9-14(13)18-15/h2-4,7,12-14,17H,5-6,8-9H2,1H3
InChIKeyFVIKANPQQHXZQD-UHFFFAOYSA-N
XLogP2.25
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol with MolForge

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Related Compounds

2-[(3-hydroxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazole-6-carboxylic acid
CID 115066412
[2-(3-methylphenyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066286
3-[[(3-methylphenyl)methylamino]methyl]cyclopentan-1-ol
CID 103270659
3-(4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]oxazol-2-ylmethyl)phenol
CID 115065456
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-6-ol
CID 115066575
cis-(1R,3S)-3-[(3-methylphenyl)methoxy]cyclohexan-1-ol
CID 141095179
(3R,4aR,10bR)-3-hydroxy-8-methyl-1,2,3,4,4a,10b-hexahydrobenzo[c]chromen-6-one
CID 167593010
N-(3-hydroxycyclohexyl)-2-(3-methylphenyl)acetamide
CID 71786211
3-[[4-(3-methylphenyl)butan-2-ylamino]methyl]cyclopentan-1-ol
CID 103271353
1,2,4-trifluoro-5-[(3-methylphenyl)methyl]benzene
CID 91017435
2-[3-(3-methylphenyl)propyl]oxirane
CID 10931973
1-(cyclopropylmethyl)-5-[(3-methylphenyl)methyl]triazole-4-carboxylic acid
CID 103114800

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol?
The IUPAC name of 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol (CID 115066395) is 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol?
The canonical SMILES for 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol is Cc1cccc(CC2=NC3CCC(O)CC3O2)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol?
The InChIKey is FVIKANPQQHXZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-3-2-4-11(7-10)8-15-16-13-6-5-12(17)9-14(13)18-15/h2-4,7,12-14,17H,5-6,8-9H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol?
2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol has a molecular weight of 245.32 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-6-ol is sourced from PubChem (CID 115066395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).