1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol

C19H18O4 — CID 102188168

IUPAC1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
SMILESCOc1cc(-c2c(O)ccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H18O4/c1-21-16-10-13(11-17(22-2)19(16)23-3)18-14-7-5-4-6-12(14)8-9-15(18)20/h4-11,20H,1-3H3
InChIKeyKOJPTFWHPJVMIN-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.24
Rot. Bonds4

About 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol

1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol (PubChem CID 102188168) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
PubChem CID102188168
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
SMILESCOc1cc(-c2c(O)ccc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C19H18O4/c1-21-16-10-13(11-17(22-2)19(16)23-3)18-14-7-5-4-6-12(14)8-9-15(18)20/h4-11,20H,1-3H3
InChIKeyKOJPTFWHPJVMIN-UHFFFAOYSA-N
XLogP4.24
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol?
The IUPAC name of 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol (CID 102188168) is 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol.
What is the SMILES notation for 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol?
The canonical SMILES for 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol is COc1cc(-c2c(O)ccc3ccccc23)cc(OC)c1OC.
What is the InChIKey of 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol?
The InChIKey is KOJPTFWHPJVMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-16-10-13(11-17(22-2)19(16)23-3)18-14-7-5-4-6-12(14)8-9-15(18)20/h4-11,20H,1-3H3.
What are the key properties of 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol?
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol has a molecular weight of 310.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol is sourced from PubChem (CID 102188168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).