2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid

C14H18O3 — CID 82083096

IUPAC2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
SMILESCC(C)c1ccc2c(c1)C(CC(=O)O)CCO2
InChIInChI=1S/C14H18O3/c1-9(2)10-3-4-13-12(7-10)11(5-6-17-13)8-14(15)16/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyNUNUVHVPHMIUNV-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.15
Rot. Bonds3

About 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid

2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid (PubChem CID 82083096) has the molecular formula C14H18O3 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
PubChem CID82083096
Molecular FormulaC14H18O3
Molecular Weight234.30 g/mol
Exact Mass234.13
IUPAC Name2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid
SMILESCC(C)c1ccc2c(c1)C(CC(=O)O)CCO2
InChIInChI=1S/C14H18O3/c1-9(2)10-3-4-13-12(7-10)11(5-6-17-13)8-14(15)16/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,16)
InChIKeyNUNUVHVPHMIUNV-UHFFFAOYSA-N
XLogP3.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetamide
CID 82086564
(4R,5S)-4-amino-7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-ol
CID 94985824
2-(2-methyl-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84632412
(11S)-2-propan-2-yl-6,11-dihydrobenzo[c][1]benzoxepine-11-carboxylic acid
CID 129362319
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-[6-(dimethylamino)-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 70287298
1-(7-propan-2-yl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)ethanamine
CID 82243150
4-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanoic acid
CID 104772492
(1S)-1-(3,4-dimethoxyphenyl)ethanamine;2-[(8S)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]acetic acid
CID 25142916
2-(6-methyl-2,3,4,7,8,9-hexahydropyrano[2,3-g]quinolin-4-yl)acetic acid
CID 82623988
4-[(dimethylamino)methyl]-3,4-dihydro-2H-chromen-6-ol
CID 105460519
4-amino-7-propan-2-yl-3,4-dihydro-2H-1-benzoxepin-5-one;hydrochloride
CID 71695515

Frequently Asked Questions

What is the IUPAC name of 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid?
The IUPAC name of 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid (CID 82083096) is 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid.
What is the SMILES notation for 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid?
The canonical SMILES for 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid is CC(C)c1ccc2c(c1)C(CC(=O)O)CCO2.
What is the InChIKey of 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid?
The InChIKey is NUNUVHVPHMIUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O3/c1-9(2)10-3-4-13-12(7-10)11(5-6-17-13)8-14(15)16/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,16).
What are the key properties of 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid?
2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid has a molecular weight of 234.30 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-propan-2-yl-3,4-dihydro-2H-chromen-4-yl)acetic acid is sourced from PubChem (CID 82083096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).