butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol

C15H26O2 — CID 142271065

IUPACbutane;4-ethyl-5-propan-2-ylbenzene-1,2-diol
SMILESCCCC.CCc1cc(O)c(O)cc1C(C)C
InChIInChI=1S/C11H16O2.C4H10/c1-4-8-5-10(12)11(13)6-9(8)7(2)3;1-3-4-2/h5-7,12-13H,4H2,1-3H3;3-4H2,1-2H3
InChIKeyYHZBXHJTALSYDR-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.59
Rot. Bonds3

About butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol

butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol (PubChem CID 142271065) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol.

Molecular Properties

Compound Namebutane;4-ethyl-5-propan-2-ylbenzene-1,2-diol
PubChem CID142271065
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namebutane;4-ethyl-5-propan-2-ylbenzene-1,2-diol
SMILESCCCC.CCc1cc(O)c(O)cc1C(C)C
InChIInChI=1S/C11H16O2.C4H10/c1-4-8-5-10(12)11(13)6-9(8)7(2)3;1-3-4-2/h5-7,12-13H,4H2,1-3H3;3-4H2,1-2H3
InChIKeyYHZBXHJTALSYDR-UHFFFAOYSA-N
XLogP4.59
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-5-methyl-2,4-di(propan-2-yl)benzene
CID 18711823
4-ethyl-5-methylbenzene-1,2-diol
CID 66591490
5-ethyl-2-methoxy-4-[(2S)-pentan-2-yl]phenol
CID 93477742
5-ethyl-2-methoxy-4-pentan-2-ylphenol
CID 10307983
1-ethyl-2-methyl-5-propan-2-yl-4-propylbenzene
CID 123747776
4-ethyl-2,6-di(propan-2-yl)phenol
CID 3058292
5-butyl-4-chloro-2-propan-2-ylphenol
CID 118092137
2-ethyl-5-propan-2-ylphenol
CID 45096246
5-butan-2-ylbenzene-1,2,4-triol
CID 22895392
7-ethyl-6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 155120601
1-ethyl-2,3,4,5-tetra(propan-2-yl)benzene
CID 54148027
2,5-diethyl-4-propan-2-yloxyphenol
CID 162375189

Frequently Asked Questions

What is the IUPAC name of butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol?
The IUPAC name of butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol (CID 142271065) is butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol.
What is the SMILES notation for butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol?
The canonical SMILES for butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol is CCCC.CCc1cc(O)c(O)cc1C(C)C.
What is the InChIKey of butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol?
The InChIKey is YHZBXHJTALSYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2.C4H10/c1-4-8-5-10(12)11(13)6-9(8)7(2)3;1-3-4-2/h5-7,12-13H,4H2,1-3H3;3-4H2,1-2H3.
What are the key properties of butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol?
butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol has a molecular weight of 238.37 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;4-ethyl-5-propan-2-ylbenzene-1,2-diol is sourced from PubChem (CID 142271065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).