1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol

C15H20O3 — CID 102649671

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)C2=CCCCO2)c1
InChIInChI=1S/C15H20O3/c1-12-5-4-6-13(11-12)17-10-8-14(16)15-7-2-3-9-18-15/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyYMCLQECDQODORO-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.82
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol

1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol (PubChem CID 102649671) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
PubChem CID102649671
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol
SMILESCc1cccc(OCCC(O)C2=CCCCO2)c1
InChIInChI=1S/C15H20O3/c1-12-5-4-6-13(11-12)17-10-8-14(16)15-7-2-3-9-18-15/h4-7,11,14,16H,2-3,8-10H2,1H3
InChIKeyYMCLQECDQODORO-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-3-(3-methylphenoxy)propan-1-ol
CID 105097378
1-(3,5-difluorophenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105093291
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyridin-2-ylpropan-1-ol
CID 102649748
3-(3-methylphenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110886
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-(cyclohexen-1-yl)-3-(3-methylphenoxy)propyl]hydrazine
CID 106650430
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
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol (CID 102649671) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol is Cc1cccc(OCCC(O)C2=CCCCO2)c1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol?
The InChIKey is YMCLQECDQODORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-12-5-4-6-13(11-12)17-10-8-14(16)15-7-2-3-9-18-15/h4-7,11,14,16H,2-3,8-10H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol?
1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol has a molecular weight of 248.32 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(3-methylphenoxy)propan-1-ol is sourced from PubChem (CID 102649671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).