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

C14H16O3 — CID 117246130

IUPAC1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)Cc2ccco2)c1
InChIInChI=1S/C14H16O3/c1-11-4-2-5-13(8-11)17-10-12(15)9-14-6-3-7-16-14/h2-8,12,15H,9-10H2,1H3
InChIKeySZGREDGGYPKYSM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.57
Rot. Bonds5

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

1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol (PubChem CID 117246130) 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-2-ol.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
PubChem CID117246130
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol
SMILESCc1cccc(OCC(O)Cc2ccco2)c1
InChIInChI=1S/C14H16O3/c1-11-4-2-5-13(8-11)17-10-12(15)9-14-6-3-7-16-14/h2-8,12,15H,9-10H2,1H3
InChIKeySZGREDGGYPKYSM-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-(3-methoxyphenoxy)propan-2-ol
CID 117246144
1-(furan-2-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 117246167
1-(3-methylphenoxy)butan-2-ol
CID 13089920
1-(furan-2-yl)-N-methyl-4-(3-methylphenoxy)butan-2-amine
CID 105177460
N-[4-[2-hydroxy-3-(3-methylphenoxy)propoxy]phenyl]furan-2-carboxamide
CID 46406954
N-ethyl-1-(furan-2-yl)-4-(3-methylphenoxy)butan-2-amine
CID 105177397
4-methoxy-1-(3-methylphenoxy)butan-2-ol
CID 117236744
1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
(2S)-1-[4-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]piperazin-1-yl]-3-(3-methylphenoxy)propan-2-ol
CID 1119168
1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol
CID 109415919
1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
1-(3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 4728846

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol?
The IUPAC name of 1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol (CID 117246130) is 1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol?
The canonical SMILES for 1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol is Cc1cccc(OCC(O)Cc2ccco2)c1.
What is the InChIKey of 1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol?
The InChIKey is SZGREDGGYPKYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-11-4-2-5-13(8-11)17-10-12(15)9-14-6-3-7-16-14/h2-8,12,15H,9-10H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol?
1-(furan-2-yl)-3-(3-methylphenoxy)propan-2-ol has a molecular weight of 232.28 g/mol, XLogP of 2.57, 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-2-ol is sourced from PubChem (CID 117246130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).