1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol

C14H16O3 — CID 105097378

IUPAC1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)c2ccco2)c1
InChIInChI=1S/C14H16O3/c1-11-4-2-5-12(10-11)16-9-7-13(15)14-6-3-8-17-14/h2-6,8,10,13,15H,7,9H2,1H3
InChIKeyMVMSVYXLBNETMT-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.09
Rot. Bonds5

About 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol

1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol (PubChem CID 105097378) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
PubChem CID105097378
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)c2ccco2)c1
InChIInChI=1S/C14H16O3/c1-11-4-2-5-12(10-11)16-9-7-13(15)14-6-3-8-17-14/h2-6,8,10,13,15H,7,9H2,1H3
InChIKeyMVMSVYXLBNETMT-UHFFFAOYSA-N
XLogP3.09
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
CID 102649671
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
6-methyl-1-(3-methylphenoxy)heptan-3-ol
CID 105085561
1-(5-chlorothiophen-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105119771
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
CID 117246130
N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
CID 105177397
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-(3-methylphenoxy)hex-5-en-3-ol
CID 105081716
6-methyl-1-(3-methylphenoxy)hept-6-en-3-ol
CID 105127429

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol?
The IUPAC name of 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol (CID 105097378) is 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol.
What is the SMILES notation for 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol?
The canonical SMILES for 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol is Cc1cccc(OCCC(O)c2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol?
The InChIKey is MVMSVYXLBNETMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-11-4-2-5-12(10-11)16-9-7-13(15)14-6-3-8-17-14/h2-6,8,10,13,15H,7,9H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol?
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol has a molecular weight of 232.28 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol is sourced from PubChem (CID 105097378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).