3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane

C21H24O3 — CID 142924740

IUPAC3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
SMILESCC.COc1cc(O)c(-c2c(C)ccc3ccccc23)c(OC)c1
InChIInChI=1S/C19H18O3.C2H6/c1-12-8-9-13-6-4-5-7-15(13)18(12)19-16(20)10-14(21-2)11-17(19)22-3;1-2/h4-11,20H,1-3H3;1-2H3
InChIKeyHNZYUMNWRSQCSQ-UHFFFAOYSA-N
MW324.42 g/mol
LogP5.56
Rot. Bonds3

About 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane

3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane (PubChem CID 142924740) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane.

Molecular Properties

Compound Name3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
PubChem CID142924740
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Name3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane
SMILESCC.COc1cc(O)c(-c2c(C)ccc3ccccc23)c(OC)c1
InChIInChI=1S/C19H18O3.C2H6/c1-12-8-9-13-6-4-5-7-15(13)18(12)19-16(20)10-14(21-2)11-17(19)22-3;1-2/h4-11,20H,1-3H3;1-2H3
InChIKeyHNZYUMNWRSQCSQ-UHFFFAOYSA-N
XLogP5.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.42
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,6-trimethoxyphenyl)naphthalene
CID 71363627
2-methyl-1-(2-methylnaphthalen-1-yl)naphthalene;sulfane
CID 155977678
6,13-bis(2,4,6-trimethoxyphenyl)pentacene
CID 141153743
3-(2-hydroxy-3,5-dimethoxyphenyl)-1-[2-hydroxy-3-(2-hydroxy-3,5-dimethoxyphenyl)naphthalen-1-yl]naphthalen-2-ol
CID 71141860
2-[4,6-bis(2-hydroxy-4,6-dimethoxyphenyl)-1,3,5-triazin-2-yl]-3,5-dimethoxyphenol
CID 136758978
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
1-(2,4-dimethoxyphenyl)-2-fluoronaphthalene
CID 130198538
1-(2,5-dimethoxy-3,4-dimethylphenyl)naphthalen-2-ol
CID 15130773
2-(2-methoxynaphthalen-1-yl)-6-methyl-3-propan-2-ylphenol
CID 102189709
7-methoxy-4-(2-methoxynaphthalen-1-yl)naphthalen-2-ol
CID 132851119
4-(2-methoxynaphthalen-1-yl)anthracen-2-ol
CID 132597550
2-(2,4-dimethoxyphenyl)-3,5-dimethoxyphenol
CID 165177874

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane?
The IUPAC name of 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane (CID 142924740) is 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane.
What is the SMILES notation for 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane?
The canonical SMILES for 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane is CC.COc1cc(O)c(-c2c(C)ccc3ccccc23)c(OC)c1.
What is the InChIKey of 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane?
The InChIKey is HNZYUMNWRSQCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3.C2H6/c1-12-8-9-13-6-4-5-7-15(13)18(12)19-16(20)10-14(21-2)11-17(19)22-3;1-2/h4-11,20H,1-3H3;1-2H3.
What are the key properties of 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane?
3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane has a molecular weight of 324.42 g/mol, XLogP of 5.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-2-(2-methylnaphthalen-1-yl)phenol;ethane is sourced from PubChem (CID 142924740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).