2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid

C14H16O3 — CID 84795332

IUPAC2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc3c(c2)COCC3)CC1
InChIInChI=1S/C14H16O3/c15-13(16)8-14(4-5-14)12-2-1-10-3-6-17-9-11(10)7-12/h1-2,7H,3-6,8-9H2,(H,15,16)
InChIKeyQHHASPVQKKDWIS-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid

2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid (PubChem CID 84795332) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
PubChem CID84795332
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid
SMILESO=C(O)CC1(c2ccc3c(c2)COCC3)CC1
InChIInChI=1S/C14H16O3/c15-13(16)8-14(4-5-14)12-2-1-10-3-6-17-9-11(10)7-12/h1-2,7H,3-6,8-9H2,(H,15,16)
InChIKeyQHHASPVQKKDWIS-UHFFFAOYSA-N
XLogP2.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(3,4-dihydro-2H-thiochromen-7-yl)cyclopropyl]acetic acid
CID 117374323
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1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxylic acid
CID 59129550
2-[1-[4-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107684
1-(3,4-dihydro-1H-isochromen-7-ylmethyl)cyclopropan-1-ol
CID 117292707
1-(3,4-dihydro-1H-isochromen-6-yl)cyclobutan-1-amine
CID 82608600
2-[1-(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)cyclopropyl]acetic acid
CID 117404420
2-[1-[3-[1-(hydroxymethyl)cyclopropyl]phenyl]cyclopropyl]acetic acid
CID 117107682
2-[1-(4-bromo-3-methylphenyl)cyclopropyl]acetic acid
CID 84808527
7-(1-isocyanatocyclobutyl)-3,4-dihydro-1H-isochromene
CID 117330616
2-[1-(2,2,3,3-tetrafluoro-1,4-benzodioxin-6-yl)cyclopropyl]acetic acid
CID 117491421
[1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropyl]methanol
CID 116963428

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid?
The IUPAC name of 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid (CID 84795332) is 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid.
What is the SMILES notation for 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid?
The canonical SMILES for 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid is O=C(O)CC1(c2ccc3c(c2)COCC3)CC1.
What is the InChIKey of 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid?
The InChIKey is QHHASPVQKKDWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c15-13(16)8-14(4-5-14)12-2-1-10-3-6-17-9-11(10)7-12/h1-2,7H,3-6,8-9H2,(H,15,16).
What are the key properties of 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid?
2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid has a molecular weight of 232.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dihydro-1H-isochromen-7-yl)cyclopropyl]acetic acid is sourced from PubChem (CID 84795332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).