2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol

C16H16O3 — CID 141149297

IUPAC2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol
SMILESOc1c(CC2CO2)ccc2ccc(CC3CO3)cc12
InChIInChI=1S/C16H16O3/c17-16-12(7-14-9-19-14)4-3-11-2-1-10(6-15(11)16)5-13-8-18-13/h1-4,6,13-14,17H,5,7-9H2
InChIKeyVAFRJVUGQTZYSR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.43
Rot. Bonds4

About 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol

2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol (PubChem CID 141149297) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol.

Molecular Properties

Compound Name2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol
PubChem CID141149297
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol
SMILESOc1c(CC2CO2)ccc2ccc(CC3CO3)cc12
InChIInChI=1S/C16H16O3/c17-16-12(7-14-9-19-14)4-3-11-2-1-10(6-15(11)16)5-13-8-18-13/h1-4,6,13-14,17H,5,7-9H2
InChIKeyVAFRJVUGQTZYSR-UHFFFAOYSA-N
XLogP2.43
TPSA45.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(oxiran-2-ylmethyl)-2-phenylmethoxyphenol
CID 57057624
2,7-bis(oxiran-2-ylmethyl)-9H-xanthen-9-ol
CID 90822100
2,3-bis(oxiran-2-ylmethyl)naphthalene-1,6-diol
CID 19985630
2-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)oxirane
CID 130592334
2-[2-[2-hydroxy-4-(oxiran-2-ylmethyl)phenyl]propan-2-yl]-5-(oxiran-2-ylmethyl)phenol
CID 54210540
(2R)-2-[[4-[[4-[[(2S)-oxiran-2-yl]methyl]phenyl]methyl]phenyl]methyl]oxirane
CID 129383518
2-[[1-(oxiran-2-ylmethyl)anthracen-2-yl]methyl]oxirane
CID 174458994
4-(oxiran-2-ylmethyl)-2-phenylbenzene-1,3-diol
CID 151193799
2-[(3,4,5-trimethoxyphenyl)methyl]oxirane
CID 12052944
2-[[4-[3-[4-(oxiran-2-ylmethyl)phenyl]propyl]phenyl]methyl]oxirane
CID 57324598
4-amino-2-(oxiran-2-ylmethyl)phenol
CID 22610788
methane;2-[[2-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
CID 174690186

Frequently Asked Questions

What is the IUPAC name of 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol?
The IUPAC name of 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol (CID 141149297) is 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol.
What is the SMILES notation for 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol?
The canonical SMILES for 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol is Oc1c(CC2CO2)ccc2ccc(CC3CO3)cc12.
What is the InChIKey of 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol?
The InChIKey is VAFRJVUGQTZYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-16-12(7-14-9-19-14)4-3-11-2-1-10(6-15(11)16)5-13-8-18-13/h1-4,6,13-14,17H,5,7-9H2.
What are the key properties of 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol?
2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol has a molecular weight of 256.30 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(oxiran-2-ylmethyl)naphthalen-1-ol is sourced from PubChem (CID 141149297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).