2-(2-methylphenoxy)propan-2-ol

C10H14O2 — CID 21192257

IUPAC2-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC(C)(C)O
InChIInChI=1S/C10H14O2/c1-8-6-4-5-7-9(8)12-10(2,3)11/h4-7,11H,1-3H3
InChIKeyLPEYILFXRIEFKF-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.10
Rot. Bonds2

About 2-(2-methylphenoxy)propan-2-ol

2-(2-methylphenoxy)propan-2-ol (PubChem CID 21192257) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-(2-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name2-(2-methylphenoxy)propan-2-ol
PubChem CID21192257
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-(2-methylphenoxy)propan-2-ol
SMILESCc1ccccc1OC(C)(C)O
InChIInChI=1S/C10H14O2/c1-8-6-4-5-7-9(8)12-10(2,3)11/h4-7,11H,1-3H3
InChIKeyLPEYILFXRIEFKF-UHFFFAOYSA-N
XLogP2.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol
CID 175409233
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
2-(2-methylphenoxy)-4-phenylbutan-2-ol
CID 70251454
3-methyl-3-(2-methylphenoxy)butanoic acid
CID 82077638
1-[difluoro(iodo)methoxy]-2-methylbenzene
CID 15507518
1-methyl-2-[(Z)-2-methylpent-3-en-2-yl]oxybenzene
CID 173080627
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
ethane;1-methyl-2-(2-methylphenoxy)benzene
CID 90755051
1-methyl-2-(2,2,3,3-tetramethylbutoxy)benzene
CID 158477998
methyl-(2-methylphenoxy)borinic acid
CID 90155517
methanol;1-methoxy-2-methylbenzene;hydrate;hydrochloride
CID 155598920

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)propan-2-ol?
The IUPAC name of 2-(2-methylphenoxy)propan-2-ol (CID 21192257) is 2-(2-methylphenoxy)propan-2-ol.
What is the SMILES notation for 2-(2-methylphenoxy)propan-2-ol?
The canonical SMILES for 2-(2-methylphenoxy)propan-2-ol is Cc1ccccc1OC(C)(C)O.
What is the InChIKey of 2-(2-methylphenoxy)propan-2-ol?
The InChIKey is LPEYILFXRIEFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8-6-4-5-7-9(8)12-10(2,3)11/h4-7,11H,1-3H3.
What are the key properties of 2-(2-methylphenoxy)propan-2-ol?
2-(2-methylphenoxy)propan-2-ol has a molecular weight of 166.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)propan-2-ol is sourced from PubChem (CID 21192257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).