4-hexan-2-ylbenzene-1,3-diol

C12H18O2 — CID 66695243

IUPAC4-hexan-2-ylbenzene-1,3-diol
SMILESCCCCC(C)c1ccc(O)cc1O
InChIInChI=1S/C12H18O2/c1-3-4-5-9(2)11-7-6-10(13)8-12(11)14/h6-9,13-14H,3-5H2,1-2H3
InChIKeyFWCKHFTXEFRAIE-UHFFFAOYSA-N
MW194.27 g/mol
LogP3.39
Rot. Bonds4

About 4-hexan-2-ylbenzene-1,3-diol

4-hexan-2-ylbenzene-1,3-diol (PubChem CID 66695243) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 4-hexan-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name4-hexan-2-ylbenzene-1,3-diol
PubChem CID66695243
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name4-hexan-2-ylbenzene-1,3-diol
SMILESCCCCC(C)c1ccc(O)cc1O
InChIInChI=1S/C12H18O2/c1-3-4-5-9(2)11-7-6-10(13)8-12(11)14/h6-9,13-14H,3-5H2,1-2H3
InChIKeyFWCKHFTXEFRAIE-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
4-hexan-2-ylphenol
CID 12579179
1-(2,4-dihydroxy-5-propan-2-ylphenyl)ethanone;4-pentan-2-ylbenzene-1,3-diol
CID 143777978
4-(2,6-dimethylheptan-4-yl)benzene-1,3-diol
CID 25177607
ethyl (2R)-2-[4-(2,4-dihydroxyphenyl)pentanoylamino]propanoate
CID 137352793
2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 68965839
4-[(1R)-1-aminopentyl]-3-methylphenol
CID 55253511
tributyl-[3-(2-hydroxyphenyl)butyl]phosphanium
CID 154932101
4-[(1S)-1-piperazin-1-ylpentyl]benzene-1,3-diol;dihydrochloride
CID 171308726
2-[4-(2,4-dihydroxyphenyl)pentanoylamino]acetic acid
CID 137352305
4-[1-(ethylamino)ethyl]benzene-1,3-diol
CID 24698646
4-hexan-2-ylbenzene-1,2-diol
CID 14595150

Frequently Asked Questions

What is the IUPAC name of 4-hexan-2-ylbenzene-1,3-diol?
The IUPAC name of 4-hexan-2-ylbenzene-1,3-diol (CID 66695243) is 4-hexan-2-ylbenzene-1,3-diol.
What is the SMILES notation for 4-hexan-2-ylbenzene-1,3-diol?
The canonical SMILES for 4-hexan-2-ylbenzene-1,3-diol is CCCCC(C)c1ccc(O)cc1O.
What is the InChIKey of 4-hexan-2-ylbenzene-1,3-diol?
The InChIKey is FWCKHFTXEFRAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-3-4-5-9(2)11-7-6-10(13)8-12(11)14/h6-9,13-14H,3-5H2,1-2H3.
What are the key properties of 4-hexan-2-ylbenzene-1,3-diol?
4-hexan-2-ylbenzene-1,3-diol has a molecular weight of 194.27 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexan-2-ylbenzene-1,3-diol is sourced from PubChem (CID 66695243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).