9H-fluoren-1-yl 4-hydroxybenzoate

C20H14O3 — CID 153455636

IUPAC9H-fluoren-1-yl 4-hydroxybenzoate
SMILESO=C(Oc1cccc2c1Cc1ccccc1-2)c1ccc(O)cc1
InChIInChI=1S/C20H14O3/c21-15-10-8-13(9-11-15)20(22)23-19-7-3-6-17-16-5-2-1-4-14(16)12-18(17)19/h1-11,21H,12H2
InChIKeyFDODDGUWGMDSIE-UHFFFAOYSA-N
MW302.33 g/mol
LogP4.18
Rot. Bonds2

About 9H-fluoren-1-yl 4-hydroxybenzoate

9H-fluoren-1-yl 4-hydroxybenzoate (PubChem CID 153455636) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 9H-fluoren-1-yl 4-hydroxybenzoate.

Molecular Properties

Compound Name9H-fluoren-1-yl 4-hydroxybenzoate
PubChem CID153455636
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name9H-fluoren-1-yl 4-hydroxybenzoate
SMILESO=C(Oc1cccc2c1Cc1ccccc1-2)c1ccc(O)cc1
InChIInChI=1S/C20H14O3/c21-15-10-8-13(9-11-15)20(22)23-19-7-3-6-17-16-5-2-1-4-14(16)12-18(17)19/h1-11,21H,12H2
InChIKeyFDODDGUWGMDSIE-UHFFFAOYSA-N
XLogP4.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

9H-fluoren-1-yl carbonochloridate
CID 57317054
bis(9H-fluoren-1-yl) (2R,3R)-2,3-dihydroxybutanedioate
CID 101363551
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
9H-fluoren-1-yl 2,3,3-tris(9H-fluoren-1-yl)prop-2-enoate
CID 150920620
9H-fluoren-1-yl acetate;propane-1,2-diol
CID 159192832
9H-fluoren-1-yloxy-hydroxy-oxophosphanium
CID 172827585
9H-fluoren-1-yl 2-cyano-2-fluoren-9-ylideneacetate
CID 90720769
4-O-(9H-fluoren-1-yl) 1-O-methyl 2-aminobutanedioate
CID 91582419
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
anthracen-1-yl 4-hydroxybenzoate
CID 159973907
9H-fluoren-1-yl prop-2-enoate;oxepan-2-one
CID 158528257
2-(9H-fluoren-1-yloxy)acetaldehyde
CID 87173259

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-1-yl 4-hydroxybenzoate?
The IUPAC name of 9H-fluoren-1-yl 4-hydroxybenzoate (CID 153455636) is 9H-fluoren-1-yl 4-hydroxybenzoate.
What is the SMILES notation for 9H-fluoren-1-yl 4-hydroxybenzoate?
The canonical SMILES for 9H-fluoren-1-yl 4-hydroxybenzoate is O=C(Oc1cccc2c1Cc1ccccc1-2)c1ccc(O)cc1.
What is the InChIKey of 9H-fluoren-1-yl 4-hydroxybenzoate?
The InChIKey is FDODDGUWGMDSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c21-15-10-8-13(9-11-15)20(22)23-19-7-3-6-17-16-5-2-1-4-14(16)12-18(17)19/h1-11,21H,12H2.
What are the key properties of 9H-fluoren-1-yl 4-hydroxybenzoate?
9H-fluoren-1-yl 4-hydroxybenzoate has a molecular weight of 302.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-1-yl 4-hydroxybenzoate is sourced from PubChem (CID 153455636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).