3-(3-methoxy-4-propoxyphenyl)hexanoic acid

C16H24O4 — CID 83958717

IUPAC3-(3-methoxy-4-propoxyphenyl)hexanoic acid
SMILESCCCOc1ccc(C(CCC)CC(=O)O)cc1OC
InChIInChI=1S/C16H24O4/c1-4-6-12(11-16(17)18)13-7-8-14(20-9-5-2)15(10-13)19-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,17,18)
InChIKeyBWKHCGZYHHNMCR-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.84
Rot. Bonds9

About 3-(3-methoxy-4-propoxyphenyl)hexanoic acid

3-(3-methoxy-4-propoxyphenyl)hexanoic acid (PubChem CID 83958717) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-(3-methoxy-4-propoxyphenyl)hexanoic acid.

Molecular Properties

Compound Name3-(3-methoxy-4-propoxyphenyl)hexanoic acid
PubChem CID83958717
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name3-(3-methoxy-4-propoxyphenyl)hexanoic acid
SMILESCCCOc1ccc(C(CCC)CC(=O)O)cc1OC
InChIInChI=1S/C16H24O4/c1-4-6-12(11-16(17)18)13-7-8-14(20-9-5-2)15(10-13)19-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,17,18)
InChIKeyBWKHCGZYHHNMCR-UHFFFAOYSA-N
XLogP3.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-propan-2-yl-4-propoxyphenyl)hexanoic acid
CID 83958301
(3S)-3-(4-fluoro-3-methoxyphenyl)hexanoic acid
CID 67429586
3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108796795
N-[(3-methoxy-4-propoxyphenyl)-(3-methylbutanoylamino)methyl]-3-methylbutanamide
CID 3658845
4-amino-3-(3,4-dimethoxyphenyl)butanoic acid;hydrochloride
CID 57432823
3-(3-methoxy-4-propoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 108797098
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094
N-[acetamido-(4-methoxy-3-propoxyphenyl)methyl]acetamide
CID 18889979
4-hex-5-yn-3-yl-2-methoxy-1-propoxybenzene
CID 83938505
3-(2-methoxy-5-methylphenyl)hexanoic acid
CID 112501926
(3R)-3-(3-methyl-4-phenylmethoxyphenyl)hexanoic acid
CID 68825042
5-amino-2-(3-methoxy-4-propoxyphenyl)octan-4-ol
CID 83938537

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propoxyphenyl)hexanoic acid?
The IUPAC name of 3-(3-methoxy-4-propoxyphenyl)hexanoic acid (CID 83958717) is 3-(3-methoxy-4-propoxyphenyl)hexanoic acid.
What is the SMILES notation for 3-(3-methoxy-4-propoxyphenyl)hexanoic acid?
The canonical SMILES for 3-(3-methoxy-4-propoxyphenyl)hexanoic acid is CCCOc1ccc(C(CCC)CC(=O)O)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-propoxyphenyl)hexanoic acid?
The InChIKey is BWKHCGZYHHNMCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-4-6-12(11-16(17)18)13-7-8-14(20-9-5-2)15(10-13)19-3/h7-8,10,12H,4-6,9,11H2,1-3H3,(H,17,18).
What are the key properties of 3-(3-methoxy-4-propoxyphenyl)hexanoic acid?
3-(3-methoxy-4-propoxyphenyl)hexanoic acid has a molecular weight of 280.36 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propoxyphenyl)hexanoic acid is sourced from PubChem (CID 83958717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).