2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol

C20H26O2 — CID 19894473

IUPAC2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol
SMILESCCCCc1ccc(C(C)(CC)c2cc(O)ccc2O)cc1
InChIInChI=1S/C20H26O2/c1-4-6-7-15-8-10-16(11-9-15)20(3,5-2)18-14-17(21)12-13-19(18)22/h8-14,21-22H,4-7H2,1-3H3
InChIKeyDDMUNNCVDJDWCL-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.16
Rot. Bonds6

About 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol

2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol (PubChem CID 19894473) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol.

Molecular Properties

Compound Name2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol
PubChem CID19894473
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol
SMILESCCCCc1ccc(C(C)(CC)c2cc(O)ccc2O)cc1
InChIInChI=1S/C20H26O2/c1-4-6-7-15-8-10-16(11-9-15)20(3,5-2)18-14-17(21)12-13-19(18)22/h8-14,21-22H,4-7H2,1-3H3
InChIKeyDDMUNNCVDJDWCL-UHFFFAOYSA-N
XLogP5.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,4-bis(2-methylbutan-2-yl)phenol;4-butylphenol
CID 160837498
4-[2-(4-pentylphenyl)propan-2-yl]phenol
CID 174631363
4-butylphenol;tungsten
CID 174758928
4-hexylphenol;4-(2-methylbutan-2-yl)phenol
CID 70208179
2-tert-butyl-4-pentylphenol
CID 19933254
2-(2-methylbutan-2-yl)-4-nonylphenol
CID 139606496
lithium;4-butylphenol;hydride
CID 174758234
bicyclo[3.1.0]hexa-1(6),2,4-triene;4-butylphenol
CID 174398804
4-butylphenol;3,5-dibutylphenol
CID 159891553
4-butylphenol;3-methylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 174345319
methane;2-(2-methylbutan-2-yl)benzene-1,4-diol;tungsten
CID 159220306
4-[2-(4-heptylphenyl)-2-methylpropyl]phenol
CID 67225424

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol?
The IUPAC name of 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol (CID 19894473) is 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol.
What is the SMILES notation for 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol?
The canonical SMILES for 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol is CCCCc1ccc(C(C)(CC)c2cc(O)ccc2O)cc1.
What is the InChIKey of 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol?
The InChIKey is DDMUNNCVDJDWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-4-6-7-15-8-10-16(11-9-15)20(3,5-2)18-14-17(21)12-13-19(18)22/h8-14,21-22H,4-7H2,1-3H3.
What are the key properties of 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol?
2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol has a molecular weight of 298.43 g/mol, XLogP of 5.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenyl)butan-2-yl]benzene-1,4-diol is sourced from PubChem (CID 19894473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).