[3-(3-methylbutan-2-yloxy)phenyl]methanol

C12H18O2 — CID 89173621

IUPAC[3-(3-methylbutan-2-yloxy)phenyl]methanol
SMILESCC(C)C(C)Oc1cccc(CO)c1
InChIInChI=1S/C12H18O2/c1-9(2)10(3)14-12-6-4-5-11(7-12)8-13/h4-7,9-10,13H,8H2,1-3H3
InChIKeyGMZRNTITZPWFLM-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.60
Rot. Bonds4

About [3-(3-methylbutan-2-yloxy)phenyl]methanol

[3-(3-methylbutan-2-yloxy)phenyl]methanol (PubChem CID 89173621) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is [3-(3-methylbutan-2-yloxy)phenyl]methanol.

Molecular Properties

Compound Name[3-(3-methylbutan-2-yloxy)phenyl]methanol
PubChem CID89173621
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name[3-(3-methylbutan-2-yloxy)phenyl]methanol
SMILESCC(C)C(C)Oc1cccc(CO)c1
InChIInChI=1S/C12H18O2/c1-9(2)10(3)14-12-6-4-5-11(7-12)8-13/h4-7,9-10,13H,8H2,1-3H3
InChIKeyGMZRNTITZPWFLM-UHFFFAOYSA-N
XLogP2.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(difluoromethoxy)phenyl]methanol
CID 2736994
(3-methoxyphenyl)(113C)methanol
CID 11593446
N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
1-(3-ethylphenoxy)ethanol
CID 66709778
N-cyclooctyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388759
2-[3-(hydroxymethyl)phenoxy]-N-naphthalen-1-ylpropanamide
CID 109388816
[3-(fluoromethoxy)phenyl]methanol
CID 130445893
3-[3-(methoxymethyl)phenoxy]butan-2-amine
CID 63985757
N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671
N-(3-fluorophenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 110884938
methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
CID 91163567

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylbutan-2-yloxy)phenyl]methanol?
The IUPAC name of [3-(3-methylbutan-2-yloxy)phenyl]methanol (CID 89173621) is [3-(3-methylbutan-2-yloxy)phenyl]methanol.
What is the SMILES notation for [3-(3-methylbutan-2-yloxy)phenyl]methanol?
The canonical SMILES for [3-(3-methylbutan-2-yloxy)phenyl]methanol is CC(C)C(C)Oc1cccc(CO)c1.
What is the InChIKey of [3-(3-methylbutan-2-yloxy)phenyl]methanol?
The InChIKey is GMZRNTITZPWFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(2)10(3)14-12-6-4-5-11(7-12)8-13/h4-7,9-10,13H,8H2,1-3H3.
What are the key properties of [3-(3-methylbutan-2-yloxy)phenyl]methanol?
[3-(3-methylbutan-2-yloxy)phenyl]methanol has a molecular weight of 194.27 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylbutan-2-yloxy)phenyl]methanol is sourced from PubChem (CID 89173621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).