4-(6H-benzo[c]chromen-9-yl)butanoic acid

C17H16O3 — CID 139771669

IUPAC4-(6H-benzo[c]chromen-9-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2c(c1)-c1ccccc1OC2
InChIInChI=1S/C17H16O3/c18-17(19)7-3-4-12-8-9-13-11-20-16-6-2-1-5-14(16)15(13)10-12/h1-2,5-6,8-10H,3-4,7,11H2,(H,18,19)
InChIKeyICSGMUZGBZCYMK-UHFFFAOYSA-N
MW268.31 g/mol
LogP3.65
Rot. Bonds4

About 4-(6H-benzo[c]chromen-9-yl)butanoic acid

4-(6H-benzo[c]chromen-9-yl)butanoic acid (PubChem CID 139771669) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-(6H-benzo[c]chromen-9-yl)butanoic acid.

Molecular Properties

Compound Name4-(6H-benzo[c]chromen-9-yl)butanoic acid
PubChem CID139771669
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name4-(6H-benzo[c]chromen-9-yl)butanoic acid
SMILESO=C(O)CCCc1ccc2c(c1)-c1ccccc1OC2
InChIInChI=1S/C17H16O3/c18-17(19)7-3-4-12-8-9-13-11-20-16-6-2-1-5-14(16)15(13)10-12/h1-2,5-6,8-10H,3-4,7,11H2,(H,18,19)
InChIKeyICSGMUZGBZCYMK-UHFFFAOYSA-N
XLogP3.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(8-chloro-11-oxo-6H-benzo[c][1]benzoxepin-2-yl)butanoic acid
CID 159940901
3-[4-[2-(2-hydroxyethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]piperidin-1-yl]propanoic acid
CID 10178685
2-[(11E)-11-(2-chloroethylidene)-6H-benzo[c][1]benzoxepin-2-yl]acetic acid
CID 19088566
potassium 2-(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)acetate
CID 23665785
6H-benzo[c]chromene;hydrobromide
CID 70547533
(2R)-2-[4-(9H-fluoren-3-yl)butanoylamino]propanoic acid
CID 119370153
2-ethyl-6H-benzo[c][1]benzoxepin-11-one
CID 13052208
4-(2-cyclopropyl-3-oxo-1H-isoindol-5-yl)butanoic acid
CID 117401771
N-hydroxy-N-[(11-oxo-6H-benzo[c][1]benzoxepin-2-yl)methyl]acetamide
CID 10637730
4-(1,3-benzoxathiol-6-yl)butanoic acid
CID 117322068
4-(2-methyl-3,4-dihydro-2H-chromen-7-yl)butanoic acid
CID 117340514
[(3E)-3-[2-(carboxymethyl)-6H-benzo[c][1]benzoxepin-11-ylidene]propyl]-dimethylazanium chloride
CID 171114827

Frequently Asked Questions

What is the IUPAC name of 4-(6H-benzo[c]chromen-9-yl)butanoic acid?
The IUPAC name of 4-(6H-benzo[c]chromen-9-yl)butanoic acid (CID 139771669) is 4-(6H-benzo[c]chromen-9-yl)butanoic acid.
What is the SMILES notation for 4-(6H-benzo[c]chromen-9-yl)butanoic acid?
The canonical SMILES for 4-(6H-benzo[c]chromen-9-yl)butanoic acid is O=C(O)CCCc1ccc2c(c1)-c1ccccc1OC2.
What is the InChIKey of 4-(6H-benzo[c]chromen-9-yl)butanoic acid?
The InChIKey is ICSGMUZGBZCYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-17(19)7-3-4-12-8-9-13-11-20-16-6-2-1-5-14(16)15(13)10-12/h1-2,5-6,8-10H,3-4,7,11H2,(H,18,19).
What are the key properties of 4-(6H-benzo[c]chromen-9-yl)butanoic acid?
4-(6H-benzo[c]chromen-9-yl)butanoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6H-benzo[c]chromen-9-yl)butanoic acid is sourced from PubChem (CID 139771669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).