4-(2-methylpropoxymethyl)phenol

C11H16O2 — CID 11159667

IUPAC4-(2-methylpropoxymethyl)phenol
SMILESCC(C)COCc1ccc(O)cc1
InChIInChI=1S/C11H16O2/c1-9(2)7-13-8-10-3-5-11(12)6-4-10/h3-6,9,12H,7-8H2,1-2H3
InChIKeyPLVDIAWQSPGVBL-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.56
Rot. Bonds4

About 4-(2-methylpropoxymethyl)phenol

4-(2-methylpropoxymethyl)phenol (PubChem CID 11159667) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2-methylpropoxymethyl)phenol.

Molecular Properties

Compound Name4-(2-methylpropoxymethyl)phenol
PubChem CID11159667
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-(2-methylpropoxymethyl)phenol
SMILESCC(C)COCc1ccc(O)cc1
InChIInChI=1S/C11H16O2/c1-9(2)7-13-8-10-3-5-11(12)6-4-10/h3-6,9,12H,7-8H2,1-2H3
InChIKeyPLVDIAWQSPGVBL-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylprop-1-enyl)-4-(2-methylpropoxymethyl)benzene
CID 177259855
methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
CID 165070743
2-methyl-N-[2-[4-(2-methylpropoxymethyl)phenyl]ethyl]propan-2-amine
CID 105349335
2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 106448218
benzene-1,2-diol;2-methyl-1-(2-methylpropoxy)propane
CID 175551749
(2S)-1-phenylmethoxypropan-2-ol;(2R)-1-phenylmethoxypropan-2-ol
CID 162240108
3-[4-[2-(2-methylpropoxy)ethoxymethyl]phenyl]prop-2-yn-1-ol
CID 106448621
4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol
CID 164929839
4-(3-methoxy-2-methylpropyl)phenol
CID 143413207
4-[2-methyl-3-[4-(2-methylpropyl)phenyl]propyl]phenol
CID 166697370
[5-(2-methylpropoxymethyl)-2-pyridinyl]hydrazine
CID 62245064
methyl 2-fluoro-4-(2-methylpropoxymethyl)benzoate
CID 106698296

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxymethyl)phenol?
The IUPAC name of 4-(2-methylpropoxymethyl)phenol (CID 11159667) is 4-(2-methylpropoxymethyl)phenol.
What is the SMILES notation for 4-(2-methylpropoxymethyl)phenol?
The canonical SMILES for 4-(2-methylpropoxymethyl)phenol is CC(C)COCc1ccc(O)cc1.
What is the InChIKey of 4-(2-methylpropoxymethyl)phenol?
The InChIKey is PLVDIAWQSPGVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-9(2)7-13-8-10-3-5-11(12)6-4-10/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 4-(2-methylpropoxymethyl)phenol?
4-(2-methylpropoxymethyl)phenol has a molecular weight of 180.25 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxymethyl)phenol is sourced from PubChem (CID 11159667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).