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

C11H13ClO3 — CID 142636452

IUPAC2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1COc2ccccc2C1
InChIInChI=1S/C11H12O3.ClH/c12-11(13)6-8-5-9-3-1-2-4-10(9)14-7-8;/h1-4,8H,5-7H2,(H,12,13);1H
InChIKeyOAJJPZGPHJYDHD-UHFFFAOYSA-N
MW228.67 g/mol
LogP2.13
Rot. Bonds2

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

2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride (PubChem CID 142636452) has the molecular formula C11H13ClO3 and a molecular weight of 228.67 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
PubChem CID142636452
Molecular FormulaC11H13ClO3
Molecular Weight228.67 g/mol
Exact Mass228.06
IUPAC Name2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CC1COc2ccccc2C1
InChIInChI=1S/C11H12O3.ClH/c12-11(13)6-8-5-9-3-1-2-4-10(9)14-7-8;/h1-4,8H,5-7H2,(H,12,13);1H
InChIKeyOAJJPZGPHJYDHD-UHFFFAOYSA-N
XLogP2.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.67
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]propanoic acid
CID 15027459
10-(3,4-dihydro-2H-chromen-3-yl)decanoic acid
CID 150575494
2-(3,4-dihydro-2H-chromen-3-yl)acetaldehyde
CID 142734505
2-methoxyethyl 2-(3,4-dihydro-2H-chromen-3-yl)acetate
CID 142636437
2-[7-(diethylamino)-3,4-dihydro-2H-chromen-3-yl]acetic acid
CID 82624519
3,4-dihydro-2H-chromene-3-carboxylic acid
CID 162072408
3,4-dihydro-2H-chromen-3-ylmethyl hydrogen sulfite
CID 91592911
1-(3,4-dihydro-2H-chromen-3-ylmethyl)-3-ethylurea
CID 47117479
3-[(2E,4Z)-2-methylhexa-2,4-dienyl]-3,4-dihydro-2H-chromene
CID 146274063
3,4-dihydro-2H-chromen-3-ylmethylhydrazine
CID 63589103
1-benzhydryl-3-(3,4-dihydro-2H-chromen-3-ylmethyl)urea
CID 55769875
2-(3,4-dihydro-2H-chromen-3-yl)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 22105782

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride (CID 142636452) is 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride is Cl.O=C(O)CC1COc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride?
The InChIKey is OAJJPZGPHJYDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3.ClH/c12-11(13)6-8-5-9-3-1-2-4-10(9)14-7-8;/h1-4,8H,5-7H2,(H,12,13);1H.
What are the key properties of 2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride?
2-(3,4-dihydro-2H-chromen-3-yl)acetic acid;hydrochloride has a molecular weight of 228.67 g/mol, XLogP of 2.13, 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-3-yl)acetic acid;hydrochloride is sourced from PubChem (CID 142636452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).