[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol

C12H18O3 — CID 139947952

IUPAC[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
SMILESCOc1cc(CO)ccc1OC(C)(C)C
InChIInChI=1S/C12H18O3/c1-12(2,3)15-10-6-5-9(8-13)7-11(10)14-4/h5-7,13H,8H2,1-4H3
InChIKeyKVZLTKYTWJXWEK-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.36
Rot. Bonds3

About [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol

[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol (PubChem CID 139947952) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol.

Molecular Properties

Compound Name[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
PubChem CID139947952
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
SMILESCOc1cc(CO)ccc1OC(C)(C)C
InChIInChI=1S/C12H18O3/c1-12(2,3)15-10-6-5-9(8-13)7-11(10)14-4/h5-7,13H,8H2,1-4H3
InChIKeyKVZLTKYTWJXWEK-UHFFFAOYSA-N
XLogP2.36
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
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[4-(hydroxymethyl)-2-methoxyphenyl] formate
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tert-butyl 3-[4-(hydroxymethyl)-2-methoxyphenoxy]propanoate
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[3-(3,3-dimethylbutoxy)-4-methoxyphenyl]methanol
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[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
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[4-(2-amino-4-chlorophenoxy)-3-methoxyphenyl]methanol
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[4-[3-chloro-2-(hydroxymethyl)phenoxy]-3-methoxyphenyl]methanol
CID 107743505
5-(hydroxymethyl)-2-methoxybenzenesulfonic acid
CID 87294269
[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
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[4-[[4-(aminomethyl)phenyl]methoxy]-3-methoxyphenyl]methanol
CID 107742818

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol?
The IUPAC name of [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol (CID 139947952) is [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol.
What is the SMILES notation for [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol?
The canonical SMILES for [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol is COc1cc(CO)ccc1OC(C)(C)C.
What is the InChIKey of [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol?
The InChIKey is KVZLTKYTWJXWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-12(2,3)15-10-6-5-9(8-13)7-11(10)14-4/h5-7,13H,8H2,1-4H3.
What are the key properties of [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol?
[3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol has a molecular weight of 210.27 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]methanol is sourced from PubChem (CID 139947952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).