2-[2-(3-methylbutoxy)phenyl]phenol

C17H20O2 — CID 58560440

IUPAC2-[2-(3-methylbutoxy)phenyl]phenol
SMILESCC(C)CCOc1ccccc1-c1ccccc1O
InChIInChI=1S/C17H20O2/c1-13(2)11-12-19-17-10-6-4-8-15(17)14-7-3-5-9-16(14)18/h3-10,13,18H,11-12H2,1-2H3
InChIKeyHEUCQDOFNBJMPR-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.48
Rot. Bonds5

About 2-[2-(3-methylbutoxy)phenyl]phenol

2-[2-(3-methylbutoxy)phenyl]phenol (PubChem CID 58560440) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-(3-methylbutoxy)phenyl]phenol.

Molecular Properties

Compound Name2-[2-(3-methylbutoxy)phenyl]phenol
PubChem CID58560440
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2-[2-(3-methylbutoxy)phenyl]phenol
SMILESCC(C)CCOc1ccccc1-c1ccccc1O
InChIInChI=1S/C17H20O2/c1-13(2)11-12-19-17-10-6-4-8-15(17)14-7-3-5-9-16(14)18/h3-10,13,18H,11-12H2,1-2H3
InChIKeyHEUCQDOFNBJMPR-UHFFFAOYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(3-methylbutoxy)phenyl]phenol 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-(bromomethyl)-2-(3-methylbutoxy)benzene
CID 43141565
benzene-1,2-diol;3-methyl-1-(3-methylbutoxy)butane
CID 175551750
2-[2-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 168554417
[5-[2-(3-methylbutoxy)phenyl]-1,2-oxazol-3-yl]methanamine
CID 54846823
2-[2-[2-(4,6-diamino-1,3,5-triazin-2-yl)ethoxy]phenyl]phenol
CID 139995584
1-(3-methylbutoxy)-2-nitrobenzene
CID 66612844
1,2-dibromo-4,5-bis(3-methylbutoxy)benzene
CID 69302382
2-(2-propan-2-yloxyethoxy)phenol
CID 61484898
1-[2-(4-methylpentoxy)phenyl]ethanol
CID 112684876
2-amino-N,4-dimethyl-6-[2-(3-methylbutoxy)phenyl]pyrimidine-5-carboxamide
CID 54853653
[2-(2-hydroxyphenyl)phenyl] hypoiodite
CID 174339961
[2-(3-methylbutoxy)naphthalen-1-yl]methanol
CID 43505713

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbutoxy)phenyl]phenol?
The IUPAC name of 2-[2-(3-methylbutoxy)phenyl]phenol (CID 58560440) is 2-[2-(3-methylbutoxy)phenyl]phenol.
What is the SMILES notation for 2-[2-(3-methylbutoxy)phenyl]phenol?
The canonical SMILES for 2-[2-(3-methylbutoxy)phenyl]phenol is CC(C)CCOc1ccccc1-c1ccccc1O.
What is the InChIKey of 2-[2-(3-methylbutoxy)phenyl]phenol?
The InChIKey is HEUCQDOFNBJMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)11-12-19-17-10-6-4-8-15(17)14-7-3-5-9-16(14)18/h3-10,13,18H,11-12H2,1-2H3.
What are the key properties of 2-[2-(3-methylbutoxy)phenyl]phenol?
2-[2-(3-methylbutoxy)phenyl]phenol has a molecular weight of 256.35 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbutoxy)phenyl]phenol is sourced from PubChem (CID 58560440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).