1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol

C16H20O4 — CID 139659328

IUPAC1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol
SMILESCCC(O)c1ccc(OC)c2c(OC)ccc(OC)c12
InChIInChI=1S/C16H20O4/c1-5-11(17)10-6-7-13(19-3)16-14(20-4)9-8-12(18-2)15(10)16/h6-9,11,17H,5H2,1-4H3
InChIKeyURDQPUQVBDLCEZ-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.31
Rot. Bonds5

About 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol

1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol (PubChem CID 139659328) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol
PubChem CID139659328
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol
SMILESCCC(O)c1ccc(OC)c2c(OC)ccc(OC)c12
InChIInChI=1S/C16H20O4/c1-5-11(17)10-6-7-13(19-3)16-14(20-4)9-8-12(18-2)15(10)16/h6-9,11,17H,5H2,1-4H3
InChIKeyURDQPUQVBDLCEZ-UHFFFAOYSA-N
XLogP3.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-3-(1-hydroxypropyl)-6-methoxyphenol
CID 83951172
(1R)-1-(5-fluoro-2-methoxyphenyl)propan-1-ol
CID 79002413
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
1,4,5,8-tetramethoxynaphthalene
CID 10220551
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
(1R)-1-[2-(2-methoxyphenoxy)phenyl]propan-1-ol
CID 103960501
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-[2-(2-methoxy-N-methylanilino)phenyl]propan-1-ol
CID 115995973
1-(4-chloro-2,5-dimethoxyphenyl)propan-1-ol
CID 82268059
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116

Frequently Asked Questions

What is the IUPAC name of 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol?
The IUPAC name of 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol (CID 139659328) is 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol?
The canonical SMILES for 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol is CCC(O)c1ccc(OC)c2c(OC)ccc(OC)c12.
What is the InChIKey of 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol?
The InChIKey is URDQPUQVBDLCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-5-11(17)10-6-7-13(19-3)16-14(20-4)9-8-12(18-2)15(10)16/h6-9,11,17H,5H2,1-4H3.
What are the key properties of 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol?
1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol has a molecular weight of 276.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,8-trimethoxynaphthalen-1-yl)propan-1-ol is sourced from PubChem (CID 139659328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).