2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol

C15H18O3 — CID 117240483

IUPAC2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol
SMILESCc1ccc(C(CO)COc2ccccc2C)o1
InChIInChI=1S/C15H18O3/c1-11-5-3-4-6-14(11)17-10-13(9-16)15-8-7-12(2)18-15/h3-8,13,16H,9-10H2,1-2H3
InChIKeySOHZBBZIVOKRDN-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.05
Rot. Bonds5

About 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol

2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol (PubChem CID 117240483) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol
PubChem CID117240483
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol
SMILESCc1ccc(C(CO)COc2ccccc2C)o1
InChIInChI=1S/C15H18O3/c1-11-5-3-4-6-14(11)17-10-13(9-16)15-8-7-12(2)18-15/h3-8,13,16H,9-10H2,1-2H3
InChIKeySOHZBBZIVOKRDN-UHFFFAOYSA-N
XLogP3.05
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-2-(5-methylfuran-2-yl)propan-1-amine
CID 117240499
2-(5-chlorothiophen-2-yl)-3-(2-methylphenoxy)propan-1-ol
CID 117240491
3-amino-2-(5-methylfuran-2-yl)propan-1-ol
CID 83682054
methyl 3-(2-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoate
CID 117240986
2-(2-methoxyphenoxy)-1-(5-methylfuran-2-yl)ethanamine
CID 16795378
2-(2-methylphenoxy)-1-thiophen-2-ylethanol
CID 117240007
(2S)-1-[cyclopropyl-[(5-methylfuran-2-yl)methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93161874
2-fluoro-3-(2-methylphenoxy)propanoic acid
CID 105451332
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
N-[(2S)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-(2-methylphenoxy)acetamide
CID 26834793
1-[bis(2-hydroxyethyl)amino]-3-(2-methylphenoxy)propan-2-ol
CID 3843080
1-(2-methylphenoxy)-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877241

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol?
The IUPAC name of 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol (CID 117240483) is 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol.
What is the SMILES notation for 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol?
The canonical SMILES for 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol is Cc1ccc(C(CO)COc2ccccc2C)o1.
What is the InChIKey of 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol?
The InChIKey is SOHZBBZIVOKRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-11-5-3-4-6-14(11)17-10-13(9-16)15-8-7-12(2)18-15/h3-8,13,16H,9-10H2,1-2H3.
What are the key properties of 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol?
2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylfuran-2-yl)-3-(2-methylphenoxy)propan-1-ol is sourced from PubChem (CID 117240483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).