4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid

C18H22O4 — CID 70179389

IUPAC4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid
SMILESCCC(CCC(=O)O)c1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C18H22O4/c1-4-12(7-10-17(19)20)18-15-11-14(21-2)8-5-13(15)6-9-16(18)22-3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyKZVFMDMEQQUNJQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.22
Rot. Bonds7

About 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid

4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid (PubChem CID 70179389) has the molecular formula C18H22O4 and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid.

Molecular Properties

Compound Name4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid
PubChem CID70179389
Molecular FormulaC18H22O4
Molecular Weight302.37 g/mol
Exact Mass302.15
IUPAC Name4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid
SMILESCCC(CCC(=O)O)c1c(OC)ccc2ccc(OC)cc12
InChIInChI=1S/C18H22O4/c1-4-12(7-10-17(19)20)18-15-11-14(21-2)8-5-13(15)6-9-16(18)22-3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20)
InChIKeyKZVFMDMEQQUNJQ-UHFFFAOYSA-N
XLogP4.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,7-dimethoxynaphthalen-1-yl)-2-hydroxyacetate
CID 117442178
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
6-(2,5-dimethoxyphenyl)octan-3-one
CID 83938220
4-(6-methoxynaphthalen-2-yl)pentanoic acid
CID 113306207
4-amino-5-(2,5-dimethoxyphenyl)-5-oxopentanoic acid
CID 82348759
3-(2,7-dimethoxynaphthalen-1-yl)-3-methylbutanoic acid
CID 117465791
4-hydroxy-4-(4-methoxyphenyl)butanoic acid
CID 4193826
2-(7-methoxynaphthalen-1-yl)butanamide
CID 57299738
(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
(4S)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744319
4-amino-4-(3,6-dimethoxy-2-methylphenyl)butanoic acid
CID 117385782
(4R)-4-amino-4-(2,4,6-trimethoxyphenyl)butanoic acid
CID 28744321

Frequently Asked Questions

What is the IUPAC name of 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid?
The IUPAC name of 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid (CID 70179389) is 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid.
What is the SMILES notation for 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid?
The canonical SMILES for 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid is CCC(CCC(=O)O)c1c(OC)ccc2ccc(OC)cc12.
What is the InChIKey of 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid?
The InChIKey is KZVFMDMEQQUNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O4/c1-4-12(7-10-17(19)20)18-15-11-14(21-2)8-5-13(15)6-9-16(18)22-3/h5-6,8-9,11-12H,4,7,10H2,1-3H3,(H,19,20).
What are the key properties of 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid?
4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid has a molecular weight of 302.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid is sourced from PubChem (CID 70179389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).