1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one

C23H19O3P — CID 152566854

IUPAC1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccccc1P(=O)(OC)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H19O3P/c1-3-21(24)19-11-6-7-13-22(19)27(25,26-2)23-14-8-12-18-17-10-5-4-9-16(17)15-20(18)23/h3-14H,1,15H2,2H3
InChIKeyYQQROLHBMXGZKF-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.50
Rot. Bonds5

About 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one

1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one (PubChem CID 152566854) has the molecular formula C23H19O3P and a molecular weight of 374.38 g/mol. Its IUPAC name is 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one
PubChem CID152566854
Molecular FormulaC23H19O3P
Molecular Weight374.38 g/mol
Exact Mass374.11
IUPAC Name1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one
SMILESC=CC(=O)c1ccccc1P(=O)(OC)c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C23H19O3P/c1-3-21(24)19-11-6-7-13-22(19)27(25,26-2)23-14-8-12-18-17-10-5-4-9-16(17)15-20(18)23/h3-14H,1,15H2,2H3
InChIKeyYQQROLHBMXGZKF-UHFFFAOYSA-N
XLogP4.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(9H-fluoren-1-yl)prop-2-en-1-one;styrene
CID 162095077
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
1-[9H-fluoren-1-yl(phenyl)phosphoryl]-9H-fluorene
CID 151192762
1-(9H-fluoren-1-yl)-2-methylprop-2-en-1-one;hydrate
CID 172842462
9H-fluorene-1-carboxamide
CID 18474131
9H-fluoren-1-ol;prop-1-ene
CID 159607408
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate
CID 174954088
acetic acid;1-(9H-fluoren-1-yloxy)-9H-fluorene
CID 162313144
(1-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate
CID 135397828

Frequently Asked Questions

What is the IUPAC name of 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one?
The IUPAC name of 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one (CID 152566854) is 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one.
What is the SMILES notation for 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one?
The canonical SMILES for 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one is C=CC(=O)c1ccccc1P(=O)(OC)c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one?
The InChIKey is YQQROLHBMXGZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19O3P/c1-3-21(24)19-11-6-7-13-22(19)27(25,26-2)23-14-8-12-18-17-10-5-4-9-16(17)15-20(18)23/h3-14H,1,15H2,2H3.
What are the key properties of 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one?
1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one has a molecular weight of 374.38 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[9H-fluoren-1-yl(methoxy)phosphoryl]phenyl]prop-2-en-1-one is sourced from PubChem (CID 152566854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).