2-(4-methylphenyl)octane-4,5-diol

C15H24O2 — CID 83930905

IUPAC2-(4-methylphenyl)octane-4,5-diol
SMILESCCCC(O)C(O)CC(C)c1ccc(C)cc1
InChIInChI=1S/C15H24O2/c1-4-5-14(16)15(17)10-12(3)13-8-6-11(2)7-9-13/h6-9,12,14-17H,4-5,10H2,1-3H3
InChIKeyMKKRUMAPIFYXDU-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.01
Rot. Bonds6

About 2-(4-methylphenyl)octane-4,5-diol

2-(4-methylphenyl)octane-4,5-diol (PubChem CID 83930905) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)octane-4,5-diol.

Molecular Properties

Compound Name2-(4-methylphenyl)octane-4,5-diol
PubChem CID83930905
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name2-(4-methylphenyl)octane-4,5-diol
SMILESCCCC(O)C(O)CC(C)c1ccc(C)cc1
InChIInChI=1S/C15H24O2/c1-4-5-14(16)15(17)10-12(3)13-8-6-11(2)7-9-13/h6-9,12,14-17H,4-5,10H2,1-3H3
InChIKeyMKKRUMAPIFYXDU-UHFFFAOYSA-N
XLogP3.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)octane-4,5-diol
CID 83927974
2-(4-methylsulfonylphenyl)octane-4,5-diol
CID 83926393
(2S,4R)-4-(4-methylphenyl)pentan-2-amine
CID 11789769
2-(2-methoxy-5-methylphenyl)octane-4,5-diol
CID 83933104
1-methyl-4-(5-methyloctan-2-yl)benzene
CID 143286559
ethane;1-(4-methylphenyl)butan-1-ol
CID 143727962
ethane;3-methylidene-4-propylheptane;1-methyl-4-pentan-2-ylbenzene
CID 177061085
1-[4,6-bis(4-methylphenyl)heptan-2-yl]-4-methylbenzene
CID 164713773
2-(3-tert-butyl-4-methoxyphenyl)octane-4,5-diol
CID 83936816
5-amino-2-(4-propylphenyl)octan-4-ol
CID 83921589
1-(4-bromopentan-2-yl)-4-methylbenzene
CID 64718589
5-(4-propylphenyl)hexane-2,3-diol
CID 83921595

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)octane-4,5-diol?
The IUPAC name of 2-(4-methylphenyl)octane-4,5-diol (CID 83930905) is 2-(4-methylphenyl)octane-4,5-diol.
What is the SMILES notation for 2-(4-methylphenyl)octane-4,5-diol?
The canonical SMILES for 2-(4-methylphenyl)octane-4,5-diol is CCCC(O)C(O)CC(C)c1ccc(C)cc1.
What is the InChIKey of 2-(4-methylphenyl)octane-4,5-diol?
The InChIKey is MKKRUMAPIFYXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-4-5-14(16)15(17)10-12(3)13-8-6-11(2)7-9-13/h6-9,12,14-17H,4-5,10H2,1-3H3.
What are the key properties of 2-(4-methylphenyl)octane-4,5-diol?
2-(4-methylphenyl)octane-4,5-diol has a molecular weight of 236.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)octane-4,5-diol is sourced from PubChem (CID 83930905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).