[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol

C12H18O3 — CID 21060332

IUPAC[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol
SMILESCC(C)(C)Oc1cc(CO)cc(CO)c1
InChIInChI=1S/C12H18O3/c1-12(2,3)15-11-5-9(7-13)4-10(6-11)8-14/h4-6,13-14H,7-8H2,1-3H3
InChIKeyVEQAHMWOKZTTQG-UHFFFAOYSA-N
MW210.27 g/mol
LogP1.85
Rot. Bonds3

About [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol

[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol (PubChem CID 21060332) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol
PubChem CID21060332
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol
SMILESCC(C)(C)Oc1cc(CO)cc(CO)c1
InChIInChI=1S/C12H18O3/c1-12(2,3)15-11-5-9(7-13)4-10(6-11)8-14/h4-6,13-14H,7-8H2,1-3H3
InChIKeyVEQAHMWOKZTTQG-UHFFFAOYSA-N
XLogP1.85
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3,5-bis[(2-methylpropan-2-yl)oxy]benzene
CID 174779911
ethene;[3-(hydroxymethyl)-5-methoxyphenyl]methanol
CID 144848774
2-[3-[(2-methylpropan-2-yl)oxy]phenyl]ethanol
CID 14794070
(3-tert-butyl-5-methoxyphenyl)methanol
CID 135139096
[3-fluoro-5-[(2-methylpropan-2-yl)oxy]phenyl]methanamine
CID 102814557
tert-butyl 7-[3,5-bis(hydroxymethyl)phenoxy]heptanoate
CID 168730127
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
CID 139947952
tert-butyl 2-[3-(hydroxymethyl)-5-methylphenoxy]acetate
CID 70899434
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
[3-(hydroxymethyl)-5-tetradecoxyphenyl]methanol
CID 67507886
[3-(hydroxymethyl)-5-pentoxyphenyl]methanol;propane
CID 169256035

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol (CID 21060332) is [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol is CC(C)(C)Oc1cc(CO)cc(CO)c1.
What is the InChIKey of [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol?
The InChIKey is VEQAHMWOKZTTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(2,3)15-11-5-9(7-13)4-10(6-11)8-14/h4-6,13-14H,7-8H2,1-3H3.
What are the key properties of [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol?
[3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol has a molecular weight of 210.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-5-[(2-methylpropan-2-yl)oxy]phenyl]methanol is sourced from PubChem (CID 21060332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).