3,4-bis(cyclopropylmethoxy)benzoic acid

C15H18O4 — CID 102594223

IUPAC3,4-bis(cyclopropylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC2CC2)c(OCC2CC2)c1
InChIInChI=1S/C15H18O4/c16-15(17)12-5-6-13(18-8-10-1-2-10)14(7-12)19-9-11-3-4-11/h5-7,10-11H,1-4,8-9H2,(H,16,17)
InChIKeyFMGSFZUGHYOLAL-UHFFFAOYSA-N
MW262.30 g/mol
LogP2.96
Rot. Bonds7

About 3,4-bis(cyclopropylmethoxy)benzoic acid

3,4-bis(cyclopropylmethoxy)benzoic acid (PubChem CID 102594223) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 3,4-bis(cyclopropylmethoxy)benzoic acid.

Molecular Properties

Compound Name3,4-bis(cyclopropylmethoxy)benzoic acid
PubChem CID102594223
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name3,4-bis(cyclopropylmethoxy)benzoic acid
SMILESO=C(O)c1ccc(OCC2CC2)c(OCC2CC2)c1
InChIInChI=1S/C15H18O4/c16-15(17)12-5-6-13(18-8-10-1-2-10)14(7-12)19-9-11-3-4-11/h5-7,10-11H,1-4,8-9H2,(H,16,17)
InChIKeyFMGSFZUGHYOLAL-UHFFFAOYSA-N
XLogP2.96
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclopropylmethoxy)-3-sulfamoylbenzoic acid
CID 43560583
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123
3-(cyclobutylmethoxy)-4-methylbenzoic acid
CID 65458690
3-(cyclopropylmethoxy)-4-[2-(dimethylamino)ethylsulfanyloxy]benzoic acid
CID 144638715
3-(cyclopropylmethoxy)-4-(difluoromethoxymethyl)benzoic acid
CID 90104836
3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide
CID 68981863
3-chlorosulfonyl-4-(cyclobutylmethoxy)benzoic acid
CID 65458945
3-amino-4-(cyclopropylmethoxymethoxy)benzoic acid
CID 106930001
5-amino-2-(cyclopropylmethoxy)benzoic acid
CID 43560606
4-(difluoromethoxy)-3-[(2,2,3,3-tetradeuteriocyclopropyl)methoxy]benzoic acid
CID 71315100

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(cyclopropylmethoxy)benzoic acid?
The IUPAC name of 3,4-bis(cyclopropylmethoxy)benzoic acid (CID 102594223) is 3,4-bis(cyclopropylmethoxy)benzoic acid.
What is the SMILES notation for 3,4-bis(cyclopropylmethoxy)benzoic acid?
The canonical SMILES for 3,4-bis(cyclopropylmethoxy)benzoic acid is O=C(O)c1ccc(OCC2CC2)c(OCC2CC2)c1.
What is the InChIKey of 3,4-bis(cyclopropylmethoxy)benzoic acid?
The InChIKey is FMGSFZUGHYOLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c16-15(17)12-5-6-13(18-8-10-1-2-10)14(7-12)19-9-11-3-4-11/h5-7,10-11H,1-4,8-9H2,(H,16,17).
What are the key properties of 3,4-bis(cyclopropylmethoxy)benzoic acid?
3,4-bis(cyclopropylmethoxy)benzoic acid has a molecular weight of 262.30 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(cyclopropylmethoxy)benzoic acid is sourced from PubChem (CID 102594223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).