4-butan-2-yl-2-phenylmethoxyphenol

C17H20O2 — CID 58776827

IUPAC4-butan-2-yl-2-phenylmethoxyphenol
SMILESCCC(C)c1ccc(O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-3-13(2)15-9-10-16(18)17(11-15)19-12-14-7-5-4-6-8-14/h4-11,13,18H,3,12H2,1-2H3
InChIKeyHWOOPVDSCWNCMS-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.48
Rot. Bonds5

About 4-butan-2-yl-2-phenylmethoxyphenol

4-butan-2-yl-2-phenylmethoxyphenol (PubChem CID 58776827) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-butan-2-yl-2-phenylmethoxyphenol.

Molecular Properties

Compound Name4-butan-2-yl-2-phenylmethoxyphenol
PubChem CID58776827
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name4-butan-2-yl-2-phenylmethoxyphenol
SMILESCCC(C)c1ccc(O)c(OCc2ccccc2)c1
InChIInChI=1S/C17H20O2/c1-3-13(2)15-9-10-16(18)17(11-15)19-12-14-7-5-4-6-8-14/h4-11,13,18H,3,12H2,1-2H3
InChIKeyHWOOPVDSCWNCMS-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 ≤ 500256.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(dipropylamino)-1-hydroxyethyl]-2-phenylmethoxyphenol
CID 56625182
3-amino-3-(4-hydroxy-3-phenylmethoxyphenyl)propanoic acid
CID 117463513
3-chloro-1-(4-hydroxy-3-phenylmethoxyphenyl)propane-1,2-diol
CID 171863217
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
4-butan-2-yl-2-methoxyphenol;methane
CID 158403359
4-tert-butyl-2-phenylmethoxyphenol
CID 18795860
1-butan-2-yl-4-(phenoxymethyl)benzene
CID 59819141
butan-2-ylbenzene;4-[(4-butan-2-ylphenyl)methoxy]-2-hydroxybenzoic acid
CID 158505754
(1S)-1-(3-methoxy-4-phenylmethoxyphenyl)ethanol
CID 63364701
1-butan-2-yl-4,5-dimethoxy-2-phenylmethoxybenzene
CID 10804189
1-(5-butan-2-yl-2-phenylmethoxyphenyl)-2-piperazin-1-ylethanol
CID 3876367
(1R,2S)-1-amino-3-methyl-1-(2-phenylmethoxyphenyl)pentan-2-ol
CID 171265324

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-2-phenylmethoxyphenol?
The IUPAC name of 4-butan-2-yl-2-phenylmethoxyphenol (CID 58776827) is 4-butan-2-yl-2-phenylmethoxyphenol.
What is the SMILES notation for 4-butan-2-yl-2-phenylmethoxyphenol?
The canonical SMILES for 4-butan-2-yl-2-phenylmethoxyphenol is CCC(C)c1ccc(O)c(OCc2ccccc2)c1.
What is the InChIKey of 4-butan-2-yl-2-phenylmethoxyphenol?
The InChIKey is HWOOPVDSCWNCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-13(2)15-9-10-16(18)17(11-15)19-12-14-7-5-4-6-8-14/h4-11,13,18H,3,12H2,1-2H3.
What are the key properties of 4-butan-2-yl-2-phenylmethoxyphenol?
4-butan-2-yl-2-phenylmethoxyphenol has a molecular weight of 256.34 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 4-butan-2-yl-2-phenylmethoxyphenol is sourced from PubChem (CID 58776827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).