2-(1-phenylbutoxymethyl)phenol

C17H20O2 — CID 67179577

IUPAC2-(1-phenylbutoxymethyl)phenol
SMILESCCCC(OCc1ccccc1O)c1ccccc1
InChIInChI=1S/C17H20O2/c1-2-8-17(14-9-4-3-5-10-14)19-13-15-11-6-7-12-16(15)18/h3-7,9-12,17-18H,2,8,13H2,1H3
InChIKeyXDCYDBVSFZXSLG-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.45
Rot. Bonds6

About 2-(1-phenylbutoxymethyl)phenol

2-(1-phenylbutoxymethyl)phenol (PubChem CID 67179577) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(1-phenylbutoxymethyl)phenol.

Molecular Properties

Compound Name2-(1-phenylbutoxymethyl)phenol
PubChem CID67179577
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name2-(1-phenylbutoxymethyl)phenol
SMILESCCCC(OCc1ccccc1O)c1ccccc1
InChIInChI=1S/C17H20O2/c1-2-8-17(14-9-4-3-5-10-14)19-13-15-11-6-7-12-16(15)18/h3-7,9-12,17-18H,2,8,13H2,1H3
InChIKeyXDCYDBVSFZXSLG-UHFFFAOYSA-N
XLogP4.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylbutoxy)propan-2-ol
CID 139655590
1-pentoxybutylbenzene
CID 173061669
2-[[1-[1-[(2-hydroxyphenyl)methoxy]-5-methyloctoxy]-5-methyloctoxy]methyl]phenol
CID 176548972
3-(1-phenylbutoxy)propane-1,2-diol
CID 175154206
2-[2-[2-(1-phenylbutoxy)ethoxy]ethoxy]ethanol
CID 139655568
[(1R)-1-ethenoxybutyl]benzene
CID 11469385
2-[2-(1-phenylhexoxy)propyl]phenol
CID 67181005
(2R)-2-[[(1S)-1-phenylbutoxy]methyl]oxirane
CID 124508039
1-ethoxydecylbenzene
CID 71423896
2-(1-phenylpentoxy)phenol
CID 67179241
1-dodecoxyhexylbenzene
CID 174774790
1-[(3-azido-1-phenylpropoxy)methyl]-2-methoxybenzene
CID 57033234

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbutoxymethyl)phenol?
The IUPAC name of 2-(1-phenylbutoxymethyl)phenol (CID 67179577) is 2-(1-phenylbutoxymethyl)phenol.
What is the SMILES notation for 2-(1-phenylbutoxymethyl)phenol?
The canonical SMILES for 2-(1-phenylbutoxymethyl)phenol is CCCC(OCc1ccccc1O)c1ccccc1.
What is the InChIKey of 2-(1-phenylbutoxymethyl)phenol?
The InChIKey is XDCYDBVSFZXSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-2-8-17(14-9-4-3-5-10-14)19-13-15-11-6-7-12-16(15)18/h3-7,9-12,17-18H,2,8,13H2,1H3.
What are the key properties of 2-(1-phenylbutoxymethyl)phenol?
2-(1-phenylbutoxymethyl)phenol has a molecular weight of 256.35 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbutoxymethyl)phenol is sourced from PubChem (CID 67179577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).