5-(4-methylphenyl)pentane-2,3-diol

C12H18O2 — CID 67119841

IUPAC5-(4-methylphenyl)pentane-2,3-diol
SMILESCc1ccc(CCC(O)C(C)O)cc1
InChIInChI=1S/C12H18O2/c1-9-3-5-11(6-4-9)7-8-12(14)10(2)13/h3-6,10,12-14H,7-8H2,1-2H3
InChIKeyXGHKEEYBMJNPEF-UHFFFAOYSA-N
MW194.27 g/mol
LogP1.67
Rot. Bonds4

About 5-(4-methylphenyl)pentane-2,3-diol

5-(4-methylphenyl)pentane-2,3-diol (PubChem CID 67119841) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 5-(4-methylphenyl)pentane-2,3-diol.

Molecular Properties

Compound Name5-(4-methylphenyl)pentane-2,3-diol
PubChem CID67119841
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name5-(4-methylphenyl)pentane-2,3-diol
SMILESCc1ccc(CCC(O)C(C)O)cc1
InChIInChI=1S/C12H18O2/c1-9-3-5-11(6-4-9)7-8-12(14)10(2)13/h3-6,10,12-14H,7-8H2,1-2H3
InChIKeyXGHKEEYBMJNPEF-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethoxy-4-(4-methylphenyl)butan-2-ol
CID 101485666
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
2-methyl-5-(4-methylphenyl)pent-1-en-3-ol
CID 105110468
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
2-[2-[4-[2-(4-methylphenyl)ethyl]phenyl]ethyl]propane-1,3-diol
CID 130315848
2-[4-(4-methylphenyl)butan-2-ylamino]propan-1-ol
CID 115724716
5-ethyl-1-(4-methylphenyl)heptan-3-ol
CID 105122523
5-(2,3-dimethylphenyl)pentane-2,3-diol
CID 83922085
3-hydroxy-5-(4-methylphenyl)pentanenitrile
CID 82075409
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 105084361
2-bromobutane;1-(3-bromobutyl)-4-methylbenzene
CID 160913632
5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)pentane-2,3-diol?
The IUPAC name of 5-(4-methylphenyl)pentane-2,3-diol (CID 67119841) is 5-(4-methylphenyl)pentane-2,3-diol.
What is the SMILES notation for 5-(4-methylphenyl)pentane-2,3-diol?
The canonical SMILES for 5-(4-methylphenyl)pentane-2,3-diol is Cc1ccc(CCC(O)C(C)O)cc1.
What is the InChIKey of 5-(4-methylphenyl)pentane-2,3-diol?
The InChIKey is XGHKEEYBMJNPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9-3-5-11(6-4-9)7-8-12(14)10(2)13/h3-6,10,12-14H,7-8H2,1-2H3.
What are the key properties of 5-(4-methylphenyl)pentane-2,3-diol?
5-(4-methylphenyl)pentane-2,3-diol has a molecular weight of 194.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)pentane-2,3-diol is sourced from PubChem (CID 67119841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).