(3-butan-2-yloxy-4-methoxyphenyl)methanol

C12H18O3 — CID 43209251

IUPAC(3-butan-2-yloxy-4-methoxyphenyl)methanol
SMILESCCC(C)Oc1cc(CO)ccc1OC
InChIInChI=1S/C12H18O3/c1-4-9(2)15-12-7-10(8-13)5-6-11(12)14-3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyHVPMIRBBYWLAGI-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.36
Rot. Bonds5

About (3-butan-2-yloxy-4-methoxyphenyl)methanol

(3-butan-2-yloxy-4-methoxyphenyl)methanol (PubChem CID 43209251) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is (3-butan-2-yloxy-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(3-butan-2-yloxy-4-methoxyphenyl)methanol
PubChem CID43209251
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name(3-butan-2-yloxy-4-methoxyphenyl)methanol
SMILESCCC(C)Oc1cc(CO)ccc1OC
InChIInChI=1S/C12H18O3/c1-4-9(2)15-12-7-10(8-13)5-6-11(12)14-3/h5-7,9,13H,4,8H2,1-3H3
InChIKeyHVPMIRBBYWLAGI-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-aminopropan-2-yloxy)-3-methoxyphenyl]methanol
CID 107742816
ethyl 2-[5-(hydroxymethyl)-2-methoxyphenoxy]butanoate
CID 64662769
2-[5-(hydroxymethyl)-2-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43117670
(4-butan-2-yloxy-3-iodo-5-methoxyphenyl)methanol
CID 45371618
3-[(2S)-butan-2-yl]oxy-4-methoxybenzaldehyde
CID 28744661
(1S)-1-(4-butan-2-yloxy-3-methoxyphenyl)ethanol
CID 63364627
4-(bromomethyl)-1-methoxy-2-pentan-2-yloxybenzene
CID 107896132
[5-(hydroxymethyl)-2-methoxyphenoxy]boronic acid
CID 142791148
[3-[5-(hydroxymethyl)-2-methoxyphenyl]-4-methoxyphenyl]methanol
CID 642903
(3-methoxy-4-phosphanyloxyphenyl)methanol
CID 89023367
(2R)-2-[[3-[(2S)-butan-2-yl]oxy-4-methoxyphenyl]methylamino]-4-methylsulfanylbutanoic acid
CID 99796576
N,N-diethyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]propanamide
CID 43115697

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yloxy-4-methoxyphenyl)methanol?
The IUPAC name of (3-butan-2-yloxy-4-methoxyphenyl)methanol (CID 43209251) is (3-butan-2-yloxy-4-methoxyphenyl)methanol.
What is the SMILES notation for (3-butan-2-yloxy-4-methoxyphenyl)methanol?
The canonical SMILES for (3-butan-2-yloxy-4-methoxyphenyl)methanol is CCC(C)Oc1cc(CO)ccc1OC.
What is the InChIKey of (3-butan-2-yloxy-4-methoxyphenyl)methanol?
The InChIKey is HVPMIRBBYWLAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-4-9(2)15-12-7-10(8-13)5-6-11(12)14-3/h5-7,9,13H,4,8H2,1-3H3.
What are the key properties of (3-butan-2-yloxy-4-methoxyphenyl)methanol?
(3-butan-2-yloxy-4-methoxyphenyl)methanol has a molecular weight of 210.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yloxy-4-methoxyphenyl)methanol is sourced from PubChem (CID 43209251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).