1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol

C15H20O4 — CID 102649751

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)C2=CCCCO2)cc1OC
InChIInChI=1S/C15H20O4/c1-17-14-7-6-11(10-15(14)18-2)9-12(16)13-5-3-4-8-19-13/h5-7,10,12,16H,3-4,8-9H2,1-2H3
InChIKeyPCPUGTVFXUGQGI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.30
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol

1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol (PubChem CID 102649751) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol
PubChem CID102649751
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)C2=CCCCO2)cc1OC
InChIInChI=1S/C15H20O4/c1-17-14-7-6-11(10-15(14)18-2)9-12(16)13-5-3-4-8-19-13/h5-7,10,12,16H,3-4,8-9H2,1-2H3
InChIKeyPCPUGTVFXUGQGI-UHFFFAOYSA-N
XLogP2.30
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
5-[2-(3,4-dimethoxyphenyl)-1-hydroxyethyl]furan-2-carboxylic acid
CID 106947420
1-(3,4-dihydro-2H-pyran-6-yl)nonan-1-ol
CID 102649817
(2R)-3-(3,4-dimethoxyphenyl)-2-hydroxypropanoic acid
CID 14163336
(3R)-4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 130440860
1-(3,4-dimethoxyphenyl)-3-methylpentan-2-ol
CID 63018781
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143
1-(3-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)ethanol
CID 63942827
3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
CID 79422765
1-(3,4-dichlorophenyl)-2-(3,4-dimethoxyphenyl)ethanol
CID 61081992
N-[1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethylphenyl)ethyl]propan-1-amine
CID 102647380
2-[(3,4-dimethoxyphenyl)methyl]-1,3-dioxolane
CID 24727770

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol (CID 102649751) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol is COc1ccc(CC(O)C2=CCCCO2)cc1OC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol?
The InChIKey is PCPUGTVFXUGQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-17-14-7-6-11(10-15(14)18-2)9-12(16)13-5-3-4-8-19-13/h5-7,10,12,16H,3-4,8-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol has a molecular weight of 264.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 102649751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).