1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid

C17H16O3 — CID 141108943

IUPAC1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1CCCO)Cc1ccccc1-2
InChIInChI=1S/C17H16O3/c18-9-3-6-13-15(17(19)20)8-7-14-12-5-2-1-4-11(12)10-16(13)14/h1-2,4-5,7-8,18H,3,6,9-10H2,(H,19,20)
InChIKeyAWEGRFNADLKGCN-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.88
Rot. Bonds4

About 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid

1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid (PubChem CID 141108943) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid
PubChem CID141108943
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1CCCO)Cc1ccccc1-2
InChIInChI=1S/C17H16O3/c18-9-3-6-13-15(17(19)20)8-7-14-12-5-2-1-4-11(12)10-16(13)14/h1-2,4-5,7-8,18H,3,6,9-10H2,(H,19,20)
InChIKeyAWEGRFNADLKGCN-UHFFFAOYSA-N
XLogP2.88
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-hydroxyethyl)-3-(3-hydroxypropyl)terephthalic acid
CID 175802536
2-(2-phenoxy-9H-fluoren-1-yl)ethanol
CID 175802941
2-methyl-1-[2-(2-methyl-9H-fluoren-1-yl)ethyl]-9H-fluorene
CID 22912619
butane-1,4-diol;9H-fluorene
CID 158933795
2-(1-ethyl-9H-fluoren-2-yl)acetic acid
CID 158650084
2,3-bis(6-hydroxyhexyl)terephthalic acid
CID 18466289
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
(2-amino-9H-fluoren-1-yl)methanol
CID 67611145
4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen
CID 175028589
1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid
CID 139570537
1,2-bis(6-bromohexyl)-9H-fluorene
CID 172692386
1,2-diethyl-9H-fluorene
CID 23440471

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid?
The IUPAC name of 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid (CID 141108943) is 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid is O=C(O)c1ccc2c(c1CCCO)Cc1ccccc1-2.
What is the InChIKey of 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid?
The InChIKey is AWEGRFNADLKGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O3/c18-9-3-6-13-15(17(19)20)8-7-14-12-5-2-1-4-11(12)10-16(13)14/h1-2,4-5,7-8,18H,3,6,9-10H2,(H,19,20).
What are the key properties of 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid?
1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-9H-fluorene-2-carboxylic acid is sourced from PubChem (CID 141108943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).