[6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate

C23H26O3 — CID 145021759

IUPAC[6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate
SMILESO=C(OC1CCc2cc(C3CCC(CO)C3)ccc2C1)c1ccccc1
InChIInChI=1S/C23H26O3/c24-15-16-6-7-18(12-16)19-8-9-21-14-22(11-10-20(21)13-19)26-23(25)17-4-2-1-3-5-17/h1-5,8-9,13,16,18,22,24H,6-7,10-12,14-15H2
InChIKeyAFJGVYGEUWNRMQ-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.28
Rot. Bonds4

About [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate

[6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate (PubChem CID 145021759) has the molecular formula C23H26O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate.

Molecular Properties

Compound Name[6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate
PubChem CID145021759
Molecular FormulaC23H26O3
Molecular Weight350.46 g/mol
Exact Mass350.19
IUPAC Name[6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate
SMILESO=C(OC1CCc2cc(C3CCC(CO)C3)ccc2C1)c1ccccc1
InChIInChI=1S/C23H26O3/c24-15-16-6-7-18(12-16)19-8-9-21-14-22(11-10-20(21)13-19)26-23(25)17-4-2-1-3-5-17/h1-5,8-9,13,16,18,22,24H,6-7,10-12,14-15H2
InChIKeyAFJGVYGEUWNRMQ-UHFFFAOYSA-N
XLogP4.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate?
The IUPAC name of [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate (CID 145021759) is [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate.
What is the SMILES notation for [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate?
The canonical SMILES for [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate is O=C(OC1CCc2cc(C3CCC(CO)C3)ccc2C1)c1ccccc1.
What is the InChIKey of [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate?
The InChIKey is AFJGVYGEUWNRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O3/c24-15-16-6-7-18(12-16)19-8-9-21-14-22(11-10-20(21)13-19)26-23(25)17-4-2-1-3-5-17/h1-5,8-9,13,16,18,22,24H,6-7,10-12,14-15H2.
What are the key properties of [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate?
[6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate has a molecular weight of 350.46 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydronaphthalen-2-yl] benzoate is sourced from PubChem (CID 145021759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).