3-methyl-1-phenylpentane-2,4-diol

C12H18O2 — CID 59748553

IUPAC3-methyl-1-phenylpentane-2,4-diol
SMILESCC(O)C(C)C(O)Cc1ccccc1
InChIInChI=1S/C12H18O2/c1-9(10(2)13)12(14)8-11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3
InChIKeyMPSISCZWUJFTTB-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.61
Rot. Bonds4

About 3-methyl-1-phenylpentane-2,4-diol

3-methyl-1-phenylpentane-2,4-diol (PubChem CID 59748553) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3-methyl-1-phenylpentane-2,4-diol.

Molecular Properties

Compound Name3-methyl-1-phenylpentane-2,4-diol
PubChem CID59748553
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3-methyl-1-phenylpentane-2,4-diol
SMILESCC(O)C(C)C(O)Cc1ccccc1
InChIInChI=1S/C12H18O2/c1-9(10(2)13)12(14)8-11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3
InChIKeyMPSISCZWUJFTTB-UHFFFAOYSA-N
XLogP1.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-4-phenylbutan-2-ol
CID 11194521
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
3-fluoro-4-phenylbutan-2-ol
CID 105433789
3-methyl-1-phenylhexan-2-ol
CID 63018482
3,4-dibenzylheptane-2,5-diol
CID 86084391
1,1-difluoro-3-phenylpropan-2-ol
CID 15085378
sodium;hydride;1-phenylpropan-2-ol
CID 175039142
(2R,3S)-3,4-diphenylbutan-2-ol
CID 166439857
1-phenylhexane-2,3-diol
CID 68731092
(2-benzyl-3-methylbutyl)benzene
CID 22277918
2,3-dimethylbutylbenzene
CID 12054035
3-(2-hydroxypropoxy)-1-phenylbutan-2-ol
CID 19968656

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenylpentane-2,4-diol?
The IUPAC name of 3-methyl-1-phenylpentane-2,4-diol (CID 59748553) is 3-methyl-1-phenylpentane-2,4-diol.
What is the SMILES notation for 3-methyl-1-phenylpentane-2,4-diol?
The canonical SMILES for 3-methyl-1-phenylpentane-2,4-diol is CC(O)C(C)C(O)Cc1ccccc1.
What is the InChIKey of 3-methyl-1-phenylpentane-2,4-diol?
The InChIKey is MPSISCZWUJFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(10(2)13)12(14)8-11-6-4-3-5-7-11/h3-7,9-10,12-14H,8H2,1-2H3.
What are the key properties of 3-methyl-1-phenylpentane-2,4-diol?
3-methyl-1-phenylpentane-2,4-diol has a molecular weight of 194.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenylpentane-2,4-diol is sourced from PubChem (CID 59748553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).