4-[4-(3-methylbutyl)phenoxy]phenol

C17H20O2 — CID 10199007

IUPAC4-[4-(3-methylbutyl)phenoxy]phenol
SMILESCC(C)CCc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O2/c1-13(2)3-4-14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13,18H,3-4H2,1-2H3
InChIKeyOQMVCGHPCGGKEQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.77
Rot. Bonds5

About 4-[4-(3-methylbutyl)phenoxy]phenol

4-[4-(3-methylbutyl)phenoxy]phenol (PubChem CID 10199007) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-[4-(3-methylbutyl)phenoxy]phenol.

Molecular Properties

Compound Name4-[4-(3-methylbutyl)phenoxy]phenol
PubChem CID10199007
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name4-[4-(3-methylbutyl)phenoxy]phenol
SMILESCC(C)CCc1ccc(Oc2ccc(O)cc2)cc1
InChIInChI=1S/C17H20O2/c1-13(2)3-4-14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13,18H,3-4H2,1-2H3
InChIKeyOQMVCGHPCGGKEQ-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

O-[[4-[4-(3-methylbutyl)phenoxy]phenyl]methyl]hydroxylamine
CID 54449973
4-[4-[2-(methylamino)ethyl]phenoxy]phenol
CID 11514269
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059
4-(4-dodecylphenoxy)phenol
CID 134258509
4-[3-(3-methylbutylamino)butyl]phenol
CID 43193057
4-(3-methylpentyl)phenol
CID 57225129
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
4-(4-methylpentyl)phenol;phenol
CID 174866001
bis(4-(4-hydroxyphenoxy)phenol);hydrate
CID 67711282
4-(3,5-dimethyloctyl)phenol
CID 174906830
1-(2-methoxyethoxy)-4-(3-methylbutyl)benzene
CID 156727019
5-(4-hydroxyphenyl)-3-methylpentanenitrile
CID 14742686

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-methylbutyl)phenoxy]phenol?
The IUPAC name of 4-[4-(3-methylbutyl)phenoxy]phenol (CID 10199007) is 4-[4-(3-methylbutyl)phenoxy]phenol.
What is the SMILES notation for 4-[4-(3-methylbutyl)phenoxy]phenol?
The canonical SMILES for 4-[4-(3-methylbutyl)phenoxy]phenol is CC(C)CCc1ccc(Oc2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-(3-methylbutyl)phenoxy]phenol?
The InChIKey is OQMVCGHPCGGKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-13(2)3-4-14-5-9-16(10-6-14)19-17-11-7-15(18)8-12-17/h5-13,18H,3-4H2,1-2H3.
What are the key properties of 4-[4-(3-methylbutyl)phenoxy]phenol?
4-[4-(3-methylbutyl)phenoxy]phenol has a molecular weight of 256.35 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-methylbutyl)phenoxy]phenol is sourced from PubChem (CID 10199007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).