2-methoxy-6-(3-methyloxiran-2-yl)phenol

C10H12O3 — CID 130036138

IUPAC2-methoxy-6-(3-methyloxiran-2-yl)phenol
SMILESCOc1cccc(C2OC2C)c1O
InChIInChI=1S/C10H12O3/c1-6-10(13-6)7-4-3-5-8(12-2)9(7)11/h3-6,10-11H,1-2H3
InChIKeyITSHKFJFKGRVBU-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.86
Rot. Bonds2

About 2-methoxy-6-(3-methyloxiran-2-yl)phenol

2-methoxy-6-(3-methyloxiran-2-yl)phenol (PubChem CID 130036138) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-methoxy-6-(3-methyloxiran-2-yl)phenol.

Molecular Properties

Compound Name2-methoxy-6-(3-methyloxiran-2-yl)phenol
PubChem CID130036138
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-methoxy-6-(3-methyloxiran-2-yl)phenol
SMILESCOc1cccc(C2OC2C)c1O
InChIInChI=1S/C10H12O3/c1-6-10(13-6)7-4-3-5-8(12-2)9(7)11/h3-6,10-11H,1-2H3
InChIKeyITSHKFJFKGRVBU-UHFFFAOYSA-N
XLogP1.86
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,3S)-3-amino-2,2-dimethylcyclopropyl]-6-methoxyphenol
CID 178197018
2,6-Dimethoxy-phenol boronic acid
CID 68597712
(2R)-2-methyl-3-(2,4,5-trimethoxyphenyl)oxirane
CID 165363851
2-(3,4-dihydro-2H-chromen-2-yl)-6-methoxyphenol
CID 101032427
(4S)-4-(2-hydroxy-3-methoxyphenyl)imidazolidin-2-one
CID 131302642
3-(2,3-dimethoxyphenyl)oxirane-2-carboxylic acid
CID 4076414
10,16-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15(20),16,18-nonaene-3,6-diol
CID 132777321
2-methoxy-6-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phenol
CID 3035148
8-methoxy-3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 14216292
3-(2-hydroxy-3-methoxyphenyl)-4-methoxy-3,4-dihydro-2H-chromen-7-ol
CID 156700370
2-[(5S)-3-(2,6-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-6-methoxyphenol
CID 134962986
1,8-dimethoxy-9,10-dihydroanthracene-9,10-diol
CID 12651971

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-(3-methyloxiran-2-yl)phenol?
The IUPAC name of 2-methoxy-6-(3-methyloxiran-2-yl)phenol (CID 130036138) is 2-methoxy-6-(3-methyloxiran-2-yl)phenol.
What is the SMILES notation for 2-methoxy-6-(3-methyloxiran-2-yl)phenol?
The canonical SMILES for 2-methoxy-6-(3-methyloxiran-2-yl)phenol is COc1cccc(C2OC2C)c1O.
What is the InChIKey of 2-methoxy-6-(3-methyloxiran-2-yl)phenol?
The InChIKey is ITSHKFJFKGRVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-10(13-6)7-4-3-5-8(12-2)9(7)11/h3-6,10-11H,1-2H3.
What are the key properties of 2-methoxy-6-(3-methyloxiran-2-yl)phenol?
2-methoxy-6-(3-methyloxiran-2-yl)phenol has a molecular weight of 180.20 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-(3-methyloxiran-2-yl)phenol is sourced from PubChem (CID 130036138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).