1-methoxy-2-phenylpentan-2-ol

C12H18O2 — CID 79566426

IUPAC1-methoxy-2-phenylpentan-2-ol
SMILESCCCC(O)(COC)c1ccccc1
InChIInChI=1S/C12H18O2/c1-3-9-12(13,10-14-2)11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKeyPRDXFKDRXDWURX-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.32
Rot. Bonds5

About 1-methoxy-2-phenylpentan-2-ol

1-methoxy-2-phenylpentan-2-ol (PubChem CID 79566426) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 1-methoxy-2-phenylpentan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-phenylpentan-2-ol
PubChem CID79566426
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name1-methoxy-2-phenylpentan-2-ol
SMILESCCCC(O)(COC)c1ccccc1
InChIInChI=1S/C12H18O2/c1-3-9-12(13,10-14-2)11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3
InChIKeyPRDXFKDRXDWURX-UHFFFAOYSA-N
XLogP2.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-2-phenylheptan-2-ol
CID 103465294
4-cyclopropyl-1-methoxy-2-phenylbutan-2-ol
CID 106590643
1-(tert-butylamino)-3-methoxy-2-phenylpropan-2-ol
CID 103466071
1-(3,4-difluorophenyl)-3-methoxy-2-phenylpropan-2-ol
CID 103465180
1-(5-ethylthiophen-2-yl)-3-methoxy-2-phenylpropan-2-ol
CID 103465604
1-azido-2-phenylpentan-2-ol
CID 141488239
2-methoxy-1-(4-methylphenyl)-1-phenylethanol
CID 50903538
1-(4-methylphenyl)-2-phenylpentan-2-ol
CID 60797697
2-phenyl-1-(propan-2-ylamino)pentan-2-ol
CID 62773592
(2S)-4-[2-(4-bromophenyl)ethylamino]-1-methoxy-2-phenylbutan-2-ol
CID 67185451
1-cyclopentyl-2-phenylpentan-2-ol
CID 65147061
1-(4-bromophenyl)-2-phenylpentan-2-ol
CID 60797698

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-phenylpentan-2-ol?
The IUPAC name of 1-methoxy-2-phenylpentan-2-ol (CID 79566426) is 1-methoxy-2-phenylpentan-2-ol.
What is the SMILES notation for 1-methoxy-2-phenylpentan-2-ol?
The canonical SMILES for 1-methoxy-2-phenylpentan-2-ol is CCCC(O)(COC)c1ccccc1.
What is the InChIKey of 1-methoxy-2-phenylpentan-2-ol?
The InChIKey is PRDXFKDRXDWURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-9-12(13,10-14-2)11-7-5-4-6-8-11/h4-8,13H,3,9-10H2,1-2H3.
What are the key properties of 1-methoxy-2-phenylpentan-2-ol?
1-methoxy-2-phenylpentan-2-ol has a molecular weight of 194.27 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-phenylpentan-2-ol is sourced from PubChem (CID 79566426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).