[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol

C12H18O3 — CID 62019697

IUPAC[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
SMILESCOc1ccc(CO)cc1COC(C)C
InChIInChI=1S/C12H18O3/c1-9(2)15-8-11-6-10(7-13)4-5-12(11)14-3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyZSUJQKYNMFMVGS-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.11
Rot. Bonds5

About [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol

[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol (PubChem CID 62019697) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
PubChem CID62019697
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol
SMILESCOc1ccc(CO)cc1COC(C)C
InChIInChI=1S/C12H18O3/c1-9(2)15-8-11-6-10(7-13)4-5-12(11)14-3/h4-6,9,13H,7-8H2,1-3H3
InChIKeyZSUJQKYNMFMVGS-UHFFFAOYSA-N
XLogP2.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[3-[(3,5-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
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[3-(cycloheptyloxymethyl)-4-methoxyphenyl]methanol
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[3-[(2,6-difluorophenoxy)methyl]-4-methoxyphenyl]methanol
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[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
N-[[3-(butan-2-yloxymethyl)-4-methoxyphenyl]methyl]ethanamine
CID 62018205
ethane;1-methoxy-2-(propan-2-yloxymethyl)benzene
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[3-[[2-(dimethylamino)ethyl-(2-methylpropyl)amino]methyl]-4-methoxyphenyl]methanol
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[3-[(dipropylamino)methyl]-4-methoxyphenyl]methanol
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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol?
The IUPAC name of [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol (CID 62019697) is [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol.
What is the SMILES notation for [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol?
The canonical SMILES for [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol is COc1ccc(CO)cc1COC(C)C.
What is the InChIKey of [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol?
The InChIKey is ZSUJQKYNMFMVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-9(2)15-8-11-6-10(7-13)4-5-12(11)14-3/h4-6,9,13H,7-8H2,1-3H3.
What are the key properties of [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol?
[4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol has a molecular weight of 210.27 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-(propan-2-yloxymethyl)phenyl]methanol is sourced from PubChem (CID 62019697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).