4-ethylbenzene-1,3-diol

C8H10O2 — CID 17927

IUPAC4-ethylbenzene-1,3-diol
SMILESCCc1ccc(O)cc1O
InChIInChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3
InChIKeyVGMJYYDKPUPTID-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.66
Rot. Bonds1

About 4-ethylbenzene-1,3-diol

4-ethylbenzene-1,3-diol (PubChem CID 17927) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-ethylbenzene-1,3-diol
PubChem CID17927
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-ethylbenzene-1,3-diol
SMILESCCc1ccc(O)cc1O
InChIInChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3
InChIKeyVGMJYYDKPUPTID-UHFFFAOYSA-N
XLogP1.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethylbenzene-1,3-diol;methoxymethane
CID 70585876
4-(2,4-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303234
4-[[(2-ethylphenyl)methylamino]methyl]benzene-1,3-diol
CID 64680284
ethane;4-(fluoromethyl)benzene-1,3-diol
CID 172565118
ethane;2-ethyl-5-methylphenol
CID 142001660
3-amino-4-ethylphenol;hydrochloride
CID 178200309
2-ethyl-5-[2-(4-ethyl-3-hydroxyphenyl)ethyl]phenol
CID 138634865
CID 156645550
CID 156645550
4-(2,3-diethyl-6-hydroxyphenyl)benzene-1,3-diol
CID 101303229
4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402
4-(fluoromethyl)benzene-1,3-diol
CID 91883667
5-(3,4-diethylphenyl)-2-ethylphenol
CID 101302461

Frequently Asked Questions

What is the IUPAC name of 4-ethylbenzene-1,3-diol?
The IUPAC name of 4-ethylbenzene-1,3-diol (CID 17927) is 4-ethylbenzene-1,3-diol.
What is the SMILES notation for 4-ethylbenzene-1,3-diol?
The canonical SMILES for 4-ethylbenzene-1,3-diol is CCc1ccc(O)cc1O.
What is the InChIKey of 4-ethylbenzene-1,3-diol?
The InChIKey is VGMJYYDKPUPTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H3.
What are the key properties of 4-ethylbenzene-1,3-diol?
4-ethylbenzene-1,3-diol has a molecular weight of 138.17 g/mol, XLogP of 1.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylbenzene-1,3-diol is sourced from PubChem (CID 17927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).