4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol

C25H38O2 — CID 161085826

IUPAC4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)cc1.CCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O.C11H16O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-4-11(2,3)9-5-7-10(12)8-6-9/h6-9,15H,10H2,1-5H3;5-8,12H,4H2,1-3H3
InChIKeyUGMMLWISYSNODG-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.19
Rot. Bonds4

About 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol

4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 161085826) has the molecular formula C25H38O2 and a molecular weight of 370.58 g/mol. Its IUPAC name is 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID161085826
Molecular FormulaC25H38O2
Molecular Weight370.58 g/mol
Exact Mass370.29
IUPAC Name4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1ccc(O)cc1.CCC(C)(C)c1ccc(O)cc1
InChIInChI=1S/C14H22O.C11H16O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-4-11(2,3)9-5-7-10(12)8-6-9/h6-9,15H,10H2,1-5H3;5-8,12H,4H2,1-3H3
InChIKeyUGMMLWISYSNODG-UHFFFAOYSA-N
XLogP7.19
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetylene;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 6455739
3,5-ditert-butylphenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 70461852
2-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 87507091
2-[[2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]disulfanyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 159638292
4-hexylphenol;4-(2-methylbutan-2-yl)phenol
CID 70208179
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865
trifluoromethylsulfonyl trifluoromethanesulfonate;4-(2,4,4-trimethylpentan-2-yl)phenol;[4-(2,4,4-trimethylpentan-2-yl)phenyl] trifluoromethanesulfonate
CID 160617511
1,6-dimethylcyclohexa-2,4-dien-1-ol;formaldehyde;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 131712132
trihydroxy-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]-λ5-phosphane
CID 67902821
4-(2,7,7-trimethyloctan-2-yl)phenol
CID 141467055
4-[(5E)-5-hydroxyimino-2,4,4-trimethylpentan-2-yl]phenol
CID 58779359
sodium 4-(2,4,4-trimethylpentan-2-yl)phenolate
CID 23688526

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol (CID 161085826) is 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1ccc(O)cc1.CCC(C)(C)c1ccc(O)cc1.
What is the InChIKey of 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is UGMMLWISYSNODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C11H16O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-4-11(2,3)9-5-7-10(12)8-6-9/h6-9,15H,10H2,1-5H3;5-8,12H,4H2,1-3H3.
What are the key properties of 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol?
4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 370.58 g/mol, XLogP of 7.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylbutan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 161085826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).