3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol

C13H12O3 — CID 142088374

IUPAC3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol
SMILESCc1c(O)c(C2OC2O)cc2ccccc12
InChIInChI=1S/C13H12O3/c1-7-9-5-3-2-4-8(9)6-10(11(7)14)12-13(15)16-12/h2-6,12-15H,1H3
InChIKeyNTBHXTCTBPSYDP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.24
Rot. Bonds1

About 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol

3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol (PubChem CID 142088374) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol
PubChem CID142088374
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Name3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol
SMILESCc1c(O)c(C2OC2O)cc2ccccc12
InChIInChI=1S/C13H12O3/c1-7-9-5-3-2-4-8(9)6-10(11(7)14)12-13(15)16-12/h2-6,12-15H,1H3
InChIKeyNTBHXTCTBPSYDP-UHFFFAOYSA-N
XLogP2.24
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

9,10-dimethylanthracene;bis(9-methylanthracene)
CID 159714317
9-methylanthracene;naphthalene
CID 142881908
(3R,5S,7S)-12-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
CID 21123161
(3R,6R,7S)-12-methyl-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
CID 21123160
lithium;hydride;9-methylanthracene
CID 174773747
ethane;9-methylanthracene;naphthalene
CID 161226057
4-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-6-[3,5-bis[5-[10-(5-anthracen-9-yl-2,4-dihydroxyphenyl)anthracen-9-yl]-2,4-dihydroxyphenyl]-2,4,6-trimethylphenyl]benzene-1,3-diol
CID 122211768
1,3-dimethylnaphthalene-2-carbonyl chloride
CID 54124479
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
9-methylanthracene;2-methylthiophene
CID 143060558
2-fluoro-3-methylnaphthalen-1-ol
CID 150732713
(4S,6R,8S)-5-oxapentacyclo[9.8.0.03,9.04,6.012,17]nonadeca-1,3(9),10,12,14,16,18-heptaene-7,8-diol
CID 21122826

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol?
The IUPAC name of 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol (CID 142088374) is 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol.
What is the SMILES notation for 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol?
The canonical SMILES for 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol is Cc1c(O)c(C2OC2O)cc2ccccc12.
What is the InChIKey of 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol?
The InChIKey is NTBHXTCTBPSYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-7-9-5-3-2-4-8(9)6-10(11(7)14)12-13(15)16-12/h2-6,12-15H,1H3.
What are the key properties of 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol?
3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol has a molecular weight of 216.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylnaphthalen-2-yl)oxiran-2-ol is sourced from PubChem (CID 142088374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).