[2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate

C26H26O3 — CID 150287468

IUPAC[2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate
SMILESC=CC(=O)Oc1c(C23CC4CC(CC(O)(C4)C2)C3)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C26H26O3/c1-2-23(27)29-24-21-10-18-5-3-4-6-19(18)20(21)7-8-22(24)25-11-16-9-17(12-25)14-26(28,13-16)15-25/h2-8,16-17,28H,1,9-15H2
InChIKeyGGWLIQUBEWWNRE-UHFFFAOYSA-N
MW386.49 g/mol
LogP4.93
Rot. Bonds3

About [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate

[2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate (PubChem CID 150287468) has the molecular formula C26H26O3 and a molecular weight of 386.49 g/mol. Its IUPAC name is [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate.

Molecular Properties

Compound Name[2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate
PubChem CID150287468
Molecular FormulaC26H26O3
Molecular Weight386.49 g/mol
Exact Mass386.19
IUPAC Name[2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate
SMILESC=CC(=O)Oc1c(C23CC4CC(CC(O)(C4)C2)C3)ccc2c1Cc1ccccc1-2
InChIInChI=1S/C26H26O3/c1-2-23(27)29-24-21-10-18-5-3-4-6-19(18)20(21)7-8-22(24)25-11-16-9-17(12-25)14-26(28,13-16)15-25/h2-8,16-17,28H,1,9-15H2
InChIKeyGGWLIQUBEWWNRE-UHFFFAOYSA-N
XLogP4.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-ethyl-2-adamantyl)-9H-fluoren-1-yl] prop-2-enoate
CID 151823536
(1-prop-2-enoyloxy-9H-fluoren-2-yl) prop-2-enoate
CID 135397828
[2-[2-(dimethylamino)ethyl]-9H-fluoren-1-yl] prop-2-enoate
CID 151882204
1-(1-adamantyl)-9H-fluorene
CID 141137518
[1-(2-methoxyphenyl)-9H-fluoren-2-yl] prop-2-enoate
CID 174954088
3-[2-amino-4-[9-[3-amino-4-(3-hydroxy-1-adamantyl)phenyl]fluoren-9-yl]phenyl]adamantan-1-ol
CID 67507271
(10-hydroxy-3-tetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaenyl) prop-2-enoate
CID 163406553
bis(9H-fluorene);bis(prop-2-enoic acid)
CID 175756220
9H-fluorene;bis(prop-2-enoic acid)
CID 159231151
1-ethyl-9H-fluorene;prop-2-enoic acid
CID 175512160
[4-[9-(4-prop-2-enoyloxyphenyl)-10H-anthracen-9-yl]phenyl] prop-2-enoate
CID 140948284
9H-fluoren-1-yl prop-2-enoate;oxepan-2-one
CID 158528257

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate?
The IUPAC name of [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate (CID 150287468) is [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate.
What is the SMILES notation for [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate?
The canonical SMILES for [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate is C=CC(=O)Oc1c(C23CC4CC(CC(O)(C4)C2)C3)ccc2c1Cc1ccccc1-2.
What is the InChIKey of [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate?
The InChIKey is GGWLIQUBEWWNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26O3/c1-2-23(27)29-24-21-10-18-5-3-4-6-19(18)20(21)7-8-22(24)25-11-16-9-17(12-25)14-26(28,13-16)15-25/h2-8,16-17,28H,1,9-15H2.
What are the key properties of [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate?
[2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate has a molecular weight of 386.49 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxy-1-adamantyl)-9H-fluoren-1-yl] prop-2-enoate is sourced from PubChem (CID 150287468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).