(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid

C18H20O3 — CID 21354869

IUPAC(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
SMILESC/C=C(/c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O
InChIInChI=1S/C18H20O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h5-11H,1-4H3,(H,19,20)/b16-5-
InChIKeyARMLYYXIJXARED-BNCCVWRVSA-N
MW284.36 g/mol
LogP4.36
Rot. Bonds4

About (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid

(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid (PubChem CID 21354869) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid.

Molecular Properties

Compound Name(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
PubChem CID21354869
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid
SMILESC/C=C(/c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O
InChIInChI=1S/C18H20O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h5-11H,1-4H3,(H,19,20)/b16-5-
InChIKeyARMLYYXIJXARED-BNCCVWRVSA-N
XLogP4.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoate
CID 21354868
4-(6-methoxynaphthalen-2-yl)-2,2-dimethyl-4-oxobutanoic acid
CID 65298740
4-(6-methoxynaphthalene-2-carbonyl)benzoic acid
CID 70129561
2,2,2-trifluoro-1-(6-methoxynaphthalen-2-yl)ethanone
CID 24726833
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
2,2,3,3,3-pentafluoro-1-(6-methoxynaphthalen-2-yl)propan-1-one
CID 103750502
2-[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl]sulfanylacetic acid
CID 146004513
4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
3-(6-methoxynaphthalen-2-yl)but-3-en-2-one
CID 142826310
7-methoxy-3-(6-methoxynaphthalene-2-carbonyl)naphthalene-2-carboxylic acid
CID 54292722
(E)-2-(6-methoxynaphthalen-2-yl)-3-phenylprop-2-enal
CID 71812647

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid?
The IUPAC name of (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid (CID 21354869) is (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid.
What is the SMILES notation for (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid?
The canonical SMILES for (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid is C/C=C(/c1ccc2cc(OC)ccc2c1)C(C)(C)C(=O)O.
What is the InChIKey of (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid?
The InChIKey is ARMLYYXIJXARED-BNCCVWRVSA-N. The full InChI is InChI=1S/C18H20O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h5-11H,1-4H3,(H,19,20)/b16-5-.
What are the key properties of (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid?
(Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid has a molecular weight of 284.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(6-methoxynaphthalen-2-yl)-2,2-dimethylpent-3-enoic acid is sourced from PubChem (CID 21354869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).