2-(2-methylphenoxy)-4-phenylbutan-2-ol

C17H20O2 — CID 70251454

IUPAC2-(2-methylphenoxy)-4-phenylbutan-2-ol
SMILESCc1ccccc1OC(C)(O)CCc1ccccc1
InChIInChI=1S/C17H20O2/c1-14-8-6-7-11-16(14)19-17(2,18)13-12-15-9-4-3-5-10-15/h3-11,18H,12-13H2,1-2H3
InChIKeyHIOLXRVYTMWYLK-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.72
Rot. Bonds5

About 2-(2-methylphenoxy)-4-phenylbutan-2-ol

2-(2-methylphenoxy)-4-phenylbutan-2-ol (PubChem CID 70251454) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-4-phenylbutan-2-ol.

Molecular Properties

Compound Name2-(2-methylphenoxy)-4-phenylbutan-2-ol
PubChem CID70251454
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2-(2-methylphenoxy)-4-phenylbutan-2-ol
SMILESCc1ccccc1OC(C)(O)CCc1ccccc1
InChIInChI=1S/C17H20O2/c1-14-8-6-7-11-16(14)19-17(2,18)13-12-15-9-4-3-5-10-15/h3-11,18H,12-13H2,1-2H3
InChIKeyHIOLXRVYTMWYLK-UHFFFAOYSA-N
XLogP3.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.72
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-(2-methylphenoxy)propan-2-ol
CID 21192257
2,3-dimethyl-3-(2-methylphenoxy)butan-2-ol
CID 175409233
2-hydroxy-2-methyl-4-phenylbutanal
CID 10241365
3-methyl-3-(2-methylphenoxy)butanoic acid
CID 82077638
2-methyl-1,4-diphenylbutan-2-ol
CID 103642101
(3-hydroperoxy-3-methylbutyl)benzene
CID 12643770
2-(4-fluorophenyl)-4-phenylbutan-2-ol
CID 54919518
2,2-dimethyl-4-phenylbutan-1-ol
CID 59141048
[3-methyl-2-(2-phenylethyl)phenyl] hydrogen carbonate
CID 168918761
ethane;2-methyl-1-(2-methylphenoxy)propan-2-ol
CID 177208153
3-methylpentan-3-ol;2-methyl-4-phenylbutan-2-ol
CID 69277375
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-4-phenylbutan-2-ol?
The IUPAC name of 2-(2-methylphenoxy)-4-phenylbutan-2-ol (CID 70251454) is 2-(2-methylphenoxy)-4-phenylbutan-2-ol.
What is the SMILES notation for 2-(2-methylphenoxy)-4-phenylbutan-2-ol?
The canonical SMILES for 2-(2-methylphenoxy)-4-phenylbutan-2-ol is Cc1ccccc1OC(C)(O)CCc1ccccc1.
What is the InChIKey of 2-(2-methylphenoxy)-4-phenylbutan-2-ol?
The InChIKey is HIOLXRVYTMWYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-14-8-6-7-11-16(14)19-17(2,18)13-12-15-9-4-3-5-10-15/h3-11,18H,12-13H2,1-2H3.
What are the key properties of 2-(2-methylphenoxy)-4-phenylbutan-2-ol?
2-(2-methylphenoxy)-4-phenylbutan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-4-phenylbutan-2-ol is sourced from PubChem (CID 70251454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).