3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol

C18H22O3 — CID 101207534

IUPAC3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol
SMILESCC(C)(C)c1ccc(COc2cc(O)cc(CO)c2)cc1
InChIInChI=1S/C18H22O3/c1-18(2,3)15-6-4-13(5-7-15)12-21-17-9-14(11-19)8-16(20)10-17/h4-10,19-20H,11-12H2,1-3H3
InChIKeyRPQMEBIRMNGYFY-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.76
Rot. Bonds4

About 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol

3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol (PubChem CID 101207534) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol.

Molecular Properties

Compound Name3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol
PubChem CID101207534
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol
SMILESCC(C)(C)c1ccc(COc2cc(O)cc(CO)c2)cc1
InChIInChI=1S/C18H22O3/c1-18(2,3)15-6-4-13(5-7-15)12-21-17-9-14(11-19)8-16(20)10-17/h4-10,19-20H,11-12H2,1-3H3
InChIKeyRPQMEBIRMNGYFY-UHFFFAOYSA-N
XLogP3.76
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-tert-butylphenyl)methoxy]-5-methylphenol
CID 107679876
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071
[4-[4-[[4-[(4-tert-butylphenyl)methyl]phenoxy]methyl]phenoxy]phenyl]methanol
CID 143948500
3-(hydroxymethyl)-5-propoxyphenol
CID 15514176
3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol
CID 143727870
3-methyl-5-[[4-(2-methylbutan-2-yl)phenyl]methoxy]phenol
CID 123417920
methyl 3,5-bis[(4-tert-butylphenyl)methoxy]benzoate
CID 135035006
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
1-tert-butyl-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280079
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
[3-[[3,5-bis[[3,5-bis(hydroxymethyl)phenyl]methoxy]phenoxy]methyl]-5-(hydroxymethyl)phenyl]methanol
CID 101251807

Frequently Asked Questions

What is the IUPAC name of 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol?
The IUPAC name of 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol (CID 101207534) is 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol.
What is the SMILES notation for 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol?
The canonical SMILES for 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol is CC(C)(C)c1ccc(COc2cc(O)cc(CO)c2)cc1.
What is the InChIKey of 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol?
The InChIKey is RPQMEBIRMNGYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-18(2,3)15-6-4-13(5-7-15)12-21-17-9-14(11-19)8-16(20)10-17/h4-10,19-20H,11-12H2,1-3H3.
What are the key properties of 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol?
3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol has a molecular weight of 286.37 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-tert-butylphenyl)methoxy]-5-(hydroxymethyl)phenol is sourced from PubChem (CID 101207534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).