(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol

C15H18O3 — CID 79020840

IUPAC(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(OC(C)C)c2)o1
InChIInChI=1S/C15H18O3/c1-10(2)17-13-6-4-5-12(9-13)15(16)14-8-7-11(3)18-14/h4-10,15-16H,1-3H3
InChIKeyMIMACILDGMAAJC-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.46
Rot. Bonds4

About (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol

(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol (PubChem CID 79020840) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol
PubChem CID79020840
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol
SMILESCc1ccc(C(O)c2cccc(OC(C)C)c2)o1
InChIInChI=1S/C15H18O3/c1-10(2)17-13-6-4-5-12(9-13)15(16)14-8-7-11(3)18-14/h4-10,15-16H,1-3H3
InChIKeyMIMACILDGMAAJC-UHFFFAOYSA-N
XLogP3.46
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(3-propan-2-yloxyphenyl)ethanol
CID 75358098
(3-chlorophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 63895368
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(4-aminophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106695525
(2-bromo-3-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 107985793
(2,5-dibromo-4-methylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 81473774
3-methyl-1-(3-propan-2-yloxyphenyl)butane-1,2-diol
CID 103456619
(R)-(2-bromophenyl)-(3-propan-2-yloxyphenyl)methanol
CID 97056028
(2-fluoro-4,6-dimethylphenyl)-(3-propan-2-yloxyphenyl)methanol
CID 106880297
2-amino-3-methyl-1-(3-propan-2-yloxyphenyl)butan-1-ol
CID 115347510
(R)-(5-methylfuran-2-yl)-pyridin-3-ylmethanol
CID 681019
(1,3-dimethylpyrazol-4-yl)-(3-propan-2-yloxyphenyl)methanol
CID 83091659

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol?
The IUPAC name of (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol (CID 79020840) is (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol.
What is the SMILES notation for (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol?
The canonical SMILES for (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol is Cc1ccc(C(O)c2cccc(OC(C)C)c2)o1.
What is the InChIKey of (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol?
The InChIKey is MIMACILDGMAAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-10(2)17-13-6-4-5-12(9-13)15(16)14-8-7-11(3)18-14/h4-10,15-16H,1-3H3.
What are the key properties of (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol?
(5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol has a molecular weight of 246.31 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-(3-propan-2-yloxyphenyl)methanol is sourced from PubChem (CID 79020840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).