hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate

C17H14O3 — CID 139648482

IUPAChydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate
SMILESO=C(C=CC1c2ccccc2-c2ccccc21)OCO
InChIInChI=1S/C17H14O3/c18-11-20-17(19)10-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,18H,11H2
InChIKeyCJTVZZBMACODMI-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds3

About hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate

hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate (PubChem CID 139648482) has the molecular formula C17H14O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate.

Molecular Properties

Compound Namehydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate
PubChem CID139648482
Molecular FormulaC17H14O3
Molecular Weight266.30 g/mol
Exact Mass266.09
IUPAC Namehydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate
SMILESO=C(C=CC1c2ccccc2-c2ccccc21)OCO
InChIInChI=1S/C17H14O3/c18-11-20-17(19)10-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,18H,11H2
InChIKeyCJTVZZBMACODMI-UHFFFAOYSA-N
XLogP2.85
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(9H-fluoren-9-yl)prop-2-enoic acid
CID 102191450
9H-fluoren-9-ylmethyl 3-phenylprop-2-enoate
CID 91551203
ethyl (E)-3-(2-oxo-1,3-dihydroindol-3-yl)prop-2-enoate
CID 174787391
3-(9H-fluoren-9-yl)prop-2-enenitrile
CID 175423309
9H-fluorene-9-carbaldehyde
CID 11074281
9H-fluoren-9-ylmethyl 2-hydroxyacetate;molecular iodine
CID 90763939
9H-fluoren-9-ylmethyl carbonofluoridate
CID 10131014
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
9H-fluoren-9-ylmethyl carbamate;hydrochloride
CID 66959107
2-amino-4-(9H-fluoren-9-ylmethoxy)-4-oxobut-2-enoic acid
CID 164579750
carbonochloridoyl 3-(9H-fluoren-9-yl)-2-methylprop-2-enoate
CID 175546905
4-(9H-fluoren-9-ylmethoxycarbonyloxy)but-2-enyl 9H-fluoren-9-ylmethyl carbonate
CID 6612799

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate?
The IUPAC name of hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate (CID 139648482) is hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate.
What is the SMILES notation for hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate?
The canonical SMILES for hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate is O=C(C=CC1c2ccccc2-c2ccccc21)OCO.
What is the InChIKey of hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate?
The InChIKey is CJTVZZBMACODMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O3/c18-11-20-17(19)10-9-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-10,16,18H,11H2.
What are the key properties of hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate?
hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate has a molecular weight of 266.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl 3-(9H-fluoren-9-yl)prop-2-enoate is sourced from PubChem (CID 139648482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).