1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol

C16H20O4 — CID 70555002

IUPAC1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol
SMILESCOc1ccc2c(OC)c(CC(C)O)c(OC)cc2c1
InChIInChI=1S/C16H20O4/c1-10(17)7-14-15(19-3)9-11-8-12(18-2)5-6-13(11)16(14)20-4/h5-6,8-10,17H,7H2,1-4H3
InChIKeyUNCUNKGWJVKIQG-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.79
Rot. Bonds5

About 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol

1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol (PubChem CID 70555002) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol
PubChem CID70555002
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol
SMILESCOc1ccc2c(OC)c(CC(C)O)c(OC)cc2c1
InChIInChI=1S/C16H20O4/c1-10(17)7-14-15(19-3)9-11-8-12(18-2)5-6-13(11)16(14)20-4/h5-6,8-10,17H,7H2,1-4H3
InChIKeyUNCUNKGWJVKIQG-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
1-(3,4-dimethoxy-2,6-dimethylphenyl)propan-2-ol
CID 117322324
1-(6-chloro-2,3-dimethoxyphenyl)propan-2-ol
CID 117333392
3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
CID 10445415
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
(2R)-1-(4-methoxy-2-methylphenyl)propan-2-ol
CID 97009148
(2R)-1-(5-methoxy-2-methylphenyl)propan-2-ol
CID 68649923
2,3,4,7-tetramethoxyphenanthrene
CID 11437978
3-chloro-2-(2-hydroxypropyl)-5,6-dimethoxyphenol
CID 117369237
1-(2-chloro-5,6-dimethoxy-3-methylphenyl)propan-2-ol
CID 117363837
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol?
The IUPAC name of 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol (CID 70555002) is 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol.
What is the SMILES notation for 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol?
The canonical SMILES for 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol is COc1ccc2c(OC)c(CC(C)O)c(OC)cc2c1.
What is the InChIKey of 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol?
The InChIKey is UNCUNKGWJVKIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-10(17)7-14-15(19-3)9-11-8-12(18-2)5-6-13(11)16(14)20-4/h5-6,8-10,17H,7H2,1-4H3.
What are the key properties of 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol?
1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol has a molecular weight of 276.33 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,6-trimethoxynaphthalen-2-yl)propan-2-ol is sourced from PubChem (CID 70555002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).