5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid

C12H14O5 — CID 117348722

IUPAC5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(C2(O)CC2)cc1C(=O)O
InChIInChI=1S/C12H14O5/c1-16-9-6-10(17-2)8(12(15)3-4-12)5-7(9)11(13)14/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyADPJZMDUKFBQNZ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.38
Rot. Bonds4

About 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid

5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid (PubChem CID 117348722) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid.

Molecular Properties

Compound Name5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid
PubChem CID117348722
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid
SMILESCOc1cc(OC)c(C2(O)CC2)cc1C(=O)O
InChIInChI=1S/C12H14O5/c1-16-9-6-10(17-2)8(12(15)3-4-12)5-7(9)11(13)14/h5-6,15H,3-4H2,1-2H3,(H,13,14)
InChIKeyADPJZMDUKFBQNZ-UHFFFAOYSA-N
XLogP1.38
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-ol
CID 117384091
1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
CID 117349200
5-(fluoromethyl)-2,4-dimethoxybenzoic acid
CID 84680158
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
CID 117435002
1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830
6-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 57422331
6-methoxy-2,3-dihydro-1H-indene-5-carboxylic acid;hydrochloride
CID 67783530
4-hydroxy-1-(2,4,5-trimethoxybenzoyl)piperidine-4-carboxylic acid
CID 119251705
5-chlorosulfonyl-2,4-dimethoxybenzoic acid
CID 16771362
1-(3-methoxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)ethanone
CID 3017916
2-(1-aminocyclopropyl)-4-hydroxy-5-methoxybenzoic acid
CID 105480283

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid?
The IUPAC name of 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid (CID 117348722) is 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid.
What is the SMILES notation for 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid?
The canonical SMILES for 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid is COc1cc(OC)c(C2(O)CC2)cc1C(=O)O.
What is the InChIKey of 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid?
The InChIKey is ADPJZMDUKFBQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O5/c1-16-9-6-10(17-2)8(12(15)3-4-12)5-7(9)11(13)14/h5-6,15H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid?
5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid is sourced from PubChem (CID 117348722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).