1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol

C16H24O4 — CID 115821691

IUPAC1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
SMILESCOc1cc(OC)cc(C(O)CCC2CCCCO2)c1
InChIInChI=1S/C16H24O4/c1-18-14-9-12(10-15(11-14)19-2)16(17)7-6-13-5-3-4-8-20-13/h9-11,13,16-17H,3-8H2,1-2H3
InChIKeyRHZAKKBLYRWXSO-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.09
Rot. Bonds6

About 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol

1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol (PubChem CID 115821691) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
PubChem CID115821691
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol
SMILESCOc1cc(OC)cc(C(O)CCC2CCCCO2)c1
InChIInChI=1S/C16H24O4/c1-18-14-9-12(10-15(11-14)19-2)16(17)7-6-13-5-3-4-8-20-13/h9-11,13,16-17H,3-8H2,1-2H3
InChIKeyRHZAKKBLYRWXSO-UHFFFAOYSA-N
XLogP3.09
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 105013577
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
(3,5-dimethoxyphenyl)-(oxan-2-yl)methanol
CID 115821693
1-(3-methoxyphenyl)-3-(oxan-2-yl)propan-1-amine
CID 115785497
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-one
CID 115785484
2-[3-bromo-3-(4-methoxyphenyl)propyl]oxane
CID 63953795
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
2-[3-chloro-3-(4-methoxy-3,5-dimethylphenyl)propyl]oxane
CID 83067757
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391
3-(oxolan-2-yl)-1-[3-(trifluoromethoxy)phenyl]propan-1-ol
CID 115796345
1-(2-ethoxy-5-methylphenyl)-3-(oxan-2-yl)propan-1-ol
CID 63953787
1-(4-methoxy-3,5-dimethylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 83056985

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol (CID 115821691) is 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol is COc1cc(OC)cc(C(O)CCC2CCCCO2)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol?
The InChIKey is RHZAKKBLYRWXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-18-14-9-12(10-15(11-14)19-2)16(17)7-6-13-5-3-4-8-20-13/h9-11,13,16-17H,3-8H2,1-2H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol?
1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol has a molecular weight of 280.36 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-3-(oxan-2-yl)propan-1-ol is sourced from PubChem (CID 115821691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).