[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate

C30H29NO8 — CID 171607196

IUPAC[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1cc(OCC(O)COC(=O)C=C)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H29NO8/c1-3-29(34)38-18-21(32)16-36-23-13-20(14-24(15-23)37-17-22(33)19-39-30(35)4-2)31-27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h3-15,21-22,32-33H,1-2,16-19H2
InChIKeyNQYOPAKVUULUKI-UHFFFAOYSA-N
MW531.56 g/mol
LogP3.72
Rot. Bonds13

About [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate

[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate (PubChem CID 171607196) has the molecular formula C30H29NO8 and a molecular weight of 531.56 g/mol. Its IUPAC name is [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate.

Molecular Properties

Compound Name[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate
PubChem CID171607196
Molecular FormulaC30H29NO8
Molecular Weight531.56 g/mol
Exact Mass531.19
IUPAC Name[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate
SMILESC=CC(=O)OCC(O)COc1cc(OCC(O)COC(=O)C=C)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C30H29NO8/c1-3-29(34)38-18-21(32)16-36-23-13-20(14-24(15-23)37-17-22(33)19-39-30(35)4-2)31-27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h3-15,21-22,32-33H,1-2,16-19H2
InChIKeyNQYOPAKVUULUKI-UHFFFAOYSA-N
XLogP3.72
TPSA116.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.56
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate with MolForge

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Related Compounds

[2-hydroxy-3-[3-(2-hydroxy-3-prop-2-enoyloxypropoxy)-5-[1,2,2-tris[3,5-bis(2-hydroxy-3-prop-2-enoyloxypropoxy)phenyl]ethyl]phenoxy]propyl] prop-2-enoate
CID 59476740
(2-hydroxy-3-naphthalen-2-yloxypropyl) prop-2-enoate
CID 58021551
2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 163994910
[3-(4-fluorophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 139559416
4-[3-(12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-yl)-5-(4-prop-2-enoyloxybutoxy)phenoxy]butyl prop-2-enoate;2-[3-benzo[c]carbazol-7-yl-5-(2-prop-2-enoyloxyethoxy)phenoxy]ethyl prop-2-enoate
CID 167551576
[3-(3,4-dibromophenoxy)-2-hydroxypropyl] prop-2-enoate
CID 101144744
(2-hydroxy-3-phenoxypropyl) prop-2-enoate;3-hydroxypropyl prop-2-enoate
CID 91047100
(2-hydroxy-3-prop-2-enoyloxypropyl) anthracene-9-carboxylate
CID 54261077
[(2S)-2-hydroxy-3-[4-[9-[4-[(2S)-2-hydroxy-3-prop-2-enoyloxypropoxy]phenyl]fluoren-9-yl]phenoxy]propyl] prop-2-enoate
CID 98048093
[(2R)-2-hydroxy-3-(2-phenylphenoxy)propyl] prop-2-enoate
CID 129405839
[3-(4-butan-2-ylphenoxy)-2-hydroxypropyl] prop-2-enoate
CID 23517808
[2-hydroxy-3-[4-[[4-(2-hydroxy-3-methoxypropoxy)phenyl]methyl]phenoxy]propyl] prop-2-enoate
CID 118443194

Frequently Asked Questions

What is the IUPAC name of [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate?
The IUPAC name of [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate (CID 171607196) is [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate.
What is the SMILES notation for [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate?
The canonical SMILES for [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate is C=CC(=O)OCC(O)COc1cc(OCC(O)COC(=O)C=C)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate?
The InChIKey is NQYOPAKVUULUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO8/c1-3-29(34)38-18-21(32)16-36-23-13-20(14-24(15-23)37-17-22(33)19-39-30(35)4-2)31-27-11-7-5-9-25(27)26-10-6-8-12-28(26)31/h3-15,21-22,32-33H,1-2,16-19H2.
What are the key properties of [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate?
[3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate has a molecular weight of 531.56 g/mol, XLogP of 3.72, 13 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-carbazol-9-yl-5-(2-hydroxy-3-prop-2-enoyloxypropoxy)phenoxy]-2-hydroxypropyl] prop-2-enoate is sourced from PubChem (CID 171607196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).