2-(3,4-dihydro-2H-chromen-4-yl)acetic acid

C11H12O3 — CID 14203078

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)acetic acid
SMILESO=C(O)CC1CCOc2ccccc21
InChIInChI=1S/C11H12O3/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2,(H,12,13)
InChIKeyBEALYTAVZUJEOO-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.03
Rot. Bonds2

About 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid

2-(3,4-dihydro-2H-chromen-4-yl)acetic acid (PubChem CID 14203078) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)acetic acid
PubChem CID14203078
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)acetic acid
SMILESO=C(O)CC1CCOc2ccccc21
InChIInChI=1S/C11H12O3/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2,(H,12,13)
InChIKeyBEALYTAVZUJEOO-UHFFFAOYSA-N
XLogP2.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydrocoumarin
CID 660
Fenoprofen
CID 3342
(3-Methoxyphenyl)acetic acid
CID 15719
7-Methoxycoumarin-4-acetic acid
CID 342221
S,R-Warfarin alcohol
CID 54723704
R,S-Warfarin alcohol
CID 54736486
7-(4-hydroxy-2-oxo-2H-chromen-3-yl)-6H,7H-chromeno[4,3-b]chromen-6-one
CID 54692153
Xanthene-9-carboxylic acid
CID 65736
6-Methyl-4-phenyl-3,4-dihydrochromen-2-one
CID 3791643
3,4-Dihydro-6-methylcoumarin
CID 66708
4-Benzyloxyphenylacetic acid
CID 81033
2-Phenoxyphenylacetic acid
CID 141222

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid (CID 14203078) is 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid is O=C(O)CC1CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid?
The InChIKey is BEALYTAVZUJEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c12-11(13)7-8-5-6-14-10-4-2-1-3-9(8)10/h1-4,8H,5-7H2,(H,12,13).
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid?
2-(3,4-dihydro-2H-chromen-4-yl)acetic acid has a molecular weight of 192.21 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)acetic acid is sourced from PubChem (CID 14203078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).