3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol

C21H22O2 — CID 159220371

IUPAC3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
SMILESCOc1cc2ccccc2c(-c2c(C)cc(C)c(C)c2C)c1O
InChIInChI=1S/C21H22O2/c1-12-10-13(2)19(15(4)14(12)3)20-17-9-7-6-8-16(17)11-18(23-5)21(20)22/h6-11,22H,1-5H3
InChIKeyMGVBJWBTUBWLRW-UHFFFAOYSA-N
MW306.40 g/mol
LogP5.45
Rot. Bonds2

About 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol

3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol (PubChem CID 159220371) has the molecular formula C21H22O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol.

Molecular Properties

Compound Name3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
PubChem CID159220371
Molecular FormulaC21H22O2
Molecular Weight306.40 g/mol
Exact Mass306.16
IUPAC Name3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol
SMILESCOc1cc2ccccc2c(-c2c(C)cc(C)c(C)c2C)c1O
InChIInChI=1S/C21H22O2/c1-12-10-13(2)19(15(4)14(12)3)20-17-9-7-6-8-16(17)11-18(23-5)21(20)22/h6-11,22H,1-5H3
InChIKeyMGVBJWBTUBWLRW-UHFFFAOYSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.40
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol?
The IUPAC name of 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol (CID 159220371) is 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol.
What is the SMILES notation for 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol?
The canonical SMILES for 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol is COc1cc2ccccc2c(-c2c(C)cc(C)c(C)c2C)c1O.
What is the InChIKey of 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol?
The InChIKey is MGVBJWBTUBWLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O2/c1-12-10-13(2)19(15(4)14(12)3)20-17-9-7-6-8-16(17)11-18(23-5)21(20)22/h6-11,22H,1-5H3.
What are the key properties of 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol?
3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol has a molecular weight of 306.40 g/mol, XLogP of 5.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2,3,4,6-tetramethylphenyl)naphthalen-2-ol is sourced from PubChem (CID 159220371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).