2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol

C19H18O3 — CID 15617853

IUPAC2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol
SMILESCOc1ccc(Cc2ccc3ccccc3c2O)cc1OC
InChIInChI=1S/C19H18O3/c1-21-17-10-7-13(12-18(17)22-2)11-15-9-8-14-5-3-4-6-16(14)19(15)20/h3-10,12,20H,11H2,1-2H3
InChIKeyOPQAGKGZXHWJPS-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.15
Rot. Bonds4

About 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol

2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol (PubChem CID 15617853) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol
PubChem CID15617853
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol
SMILESCOc1ccc(Cc2ccc3ccccc3c2O)cc1OC
InChIInChI=1S/C19H18O3/c1-21-17-10-7-13(12-18(17)22-2)11-15-9-8-14-5-3-4-6-16(14)19(15)20/h3-10,12,20H,11H2,1-2H3
InChIKeyOPQAGKGZXHWJPS-UHFFFAOYSA-N
XLogP4.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol (CID 15617853) is 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol is COc1ccc(Cc2ccc3ccccc3c2O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol?
The InChIKey is OPQAGKGZXHWJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-21-17-10-7-13(12-18(17)22-2)11-15-9-8-14-5-3-4-6-16(14)19(15)20/h3-10,12,20H,11H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol?
2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol has a molecular weight of 294.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 15617853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).