9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid

C19H18O3 — CID 23151754

IUPAC9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(C1CCOCC1)c1ccccc1-2
InChIInChI=1S/C19H18O3/c20-19(21)13-5-6-15-14-3-1-2-4-16(14)18(17(15)11-13)12-7-9-22-10-8-12/h1-6,11-12,18H,7-10H2,(H,20,21)
InChIKeyYWHFSBWYPNCEJR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.92
Rot. Bonds2

About 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid

9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid (PubChem CID 23151754) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid
PubChem CID23151754
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C(C1CCOCC1)c1ccccc1-2
InChIInChI=1S/C19H18O3/c20-19(21)13-5-6-15-14-3-1-2-4-16(14)18(17(15)11-13)12-7-9-22-10-8-12/h1-6,11-12,18H,7-10H2,(H,20,21)
InChIKeyYWHFSBWYPNCEJR-UHFFFAOYSA-N
XLogP3.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9H-fluoren-9-yl)oxolane
CID 102547285
9-hydroxy-9-(oxan-4-yl)fluorene-2-carboxylic acid
CID 23151723
heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17(22),18,20,23,25,27-dodecaene-5,13,19-tricarboxylic acid
CID 132821383
(1R,2S,9R,10S)-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3(8),4,6,11(16),12,14,17,19,21,23,25,27-dodecaene-5,14-dicarboxylic acid
CID 11597449
4-(2-cyclobutylphenyl)-3-fluorobenzoic acid
CID 114605073
(1S,8S)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 102582744
(1R,8R)-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaene-4,11-dicarboxylic acid
CID 101172499
biphenylene-2-carboxylic acid;hydrochloride
CID 70419826
3-(oxan-4-yloxy)benzoic acid
CID 23149060
(6R)-9-ethyl-6-(oxan-4-yl)-4b,5,6,7,8,8a-hexahydrocarbazole-3-carboxylic acid
CID 71026650
3-(3-carboxy-9H-xanthen-9-yl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 141148539
benzoic acid;oxane
CID 158907979

Frequently Asked Questions

What is the IUPAC name of 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid?
The IUPAC name of 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid (CID 23151754) is 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid?
The canonical SMILES for 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid is O=C(O)c1ccc2c(c1)C(C1CCOCC1)c1ccccc1-2.
What is the InChIKey of 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid?
The InChIKey is YWHFSBWYPNCEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c20-19(21)13-5-6-15-14-3-1-2-4-16(14)18(17(15)11-13)12-7-9-22-10-8-12/h1-6,11-12,18H,7-10H2,(H,20,21).
What are the key properties of 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid?
9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxan-4-yl)-9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 23151754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).